# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2088428'
loop_
_audit_author_name
_audit_author_address
'Yudiao Lin' 'Fuzhou University'
_audit_update_record             
;
2021-06-07 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cr2 Dy6 Na6 Nb30 O148'
_chemical_formula_weight         6372.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   18.9817(6)
_cell_length_b                   18.9817(6)
_cell_length_c                   28.8986(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9017.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    175
_cell_measurement_reflns_used    9920
_cell_measurement_theta_min      3.26
_cell_measurement_theta_max      25.01

_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.347
_exptl_crystal_F_000             5848
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    4.502
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.1848
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      175
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            102440
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.146
_diffrn_reflns_theta_max         25.041
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.975
_reflns_number_total             5334
_reflns_number_gt                4690
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0814P)²+56.1758P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5334
_refine_ls_number_parameters     281
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0343
_refine_ls_wR_factor_ref         0.1078
_refine_ls_wR_factor_gt          0.1018
_refine_ls_goodness_of_fit_ref   0.857
_refine_ls_restrained_S_all      0.867
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.003

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nb1 Nb 0.88880(3) 0.65763(3) 0.67811(2) 0.02868(16) Uani 1 1 d . . . . .
Nb2 Nb 0.69850(3) 0.55585(3) 0.72128(2) 0.02278(14) Uani 1 1 d . . . . .
Nb3 Nb 0.80100(4) 0.75680(3) 0.72197(2) 0.03426(17) Uani 1 1 d . . . . .
Nb4 Nb 0.67572(4) 0.44337(4) 0.50564(2) 0.03299(17) Uani 1 1 d . . . . .
Nb5 Nb 0.56880(4) 0.34117(4) 0.41337(2) 0.03500(17) Uani 1 1 d . . . . .
Dy1 Dy 0.78042(2) 0.44380(2) 0.67888(2) 0.02249(11) Uani 1 1 d . . . . .
Cr1 Cr 0.6667 0.3333 0.58516(6) 0.0264(4) Uani 1 3 d S T P . .
Na1 Na 0.5505(3) 0.77523(13) 0.7500 0.0493(10) Uani 1 2 d S T P . .
Na2 Na 0.44121(16) 0.55879(16) 0.7500 0.0615(13) Uani 1 2 d S T P . .
O1 O 0.74312(16) 0.4862(3) 0.7500 0.0237(12) Uani 1 2 d S T P . .
O2 O 0.6723(2) 0.5643(2) 0.78723(15) 0.0253(9) Uani 1 1 d . . . . .
O3 O 0.6052(2) 0.4718(2) 0.70029(14) 0.0266(9) Uani 1 1 d . . . . .
O4 O 0.6667 0.3333 0.7053(2) 0.0241(15) Uani 1 3 d S T P . .
O5 O 0.6721(2) 0.4176(3) 0.62788(14) 0.0276(9) Uani 1 1 d . . . . .
O6 O 0.7493(3) 0.4094(3) 0.54134(14) 0.0312(10) Uani 1 1 d . . . . .
O7 O 0.8607(3) 0.4935(3) 0.60865(14) 0.0321(10) Uani 1 1 d . . . . .
O8 O 0.82621(17) 0.6524(3) 0.7500 0.0280(13) Uani 1 2 d S T P . .
O9 O 0.7719(2) 0.5657(2) 0.66973(14) 0.0276(9) Uani 1 1 d . . . . .
O10 O 0.6980(3) 0.6525(3) 0.70369(17) 0.0334(10) Uani 1 1 d . . . . .
O11 O 0.9322(3) 0.6559(3) 0.62389(16) 0.0370(11) Uani 1 1 d . . . . .
O12 O 0.90955(18) 0.8191(4) 0.7500 0.0376(16) Uani 1 2 d S T P . .
O13 O 0.8527(3) 0.7360(3) 0.66766(17) 0.0373(11) Uani 1 1 d . . . . .
O14 O 0.6667 0.3333 0.4615(2) 0.0298(17) Uani 1 3 d S T P . .
O15 O 0.7539(3) 0.7347(3) 0.78560(17) 0.0353(10) Uani 1 1 d . . . . .
O16 O 0.7786(3) 0.8307(3) 0.6991(2) 0.0529(14) Uani 1 1 d . . . . .
O17 O 0.7619(3) 0.5012(3) 0.46218(14) 0.0387(11) Uani 1 1 d . . . . .
O18 O 0.5916(3) 0.4261(3) 0.46201(15) 0.0413(12) Uani 1 1 d . . . . .
O19 O 0.6823(4) 0.5196(3) 0.54400(17) 0.0490(13) Uani 1 1 d . . . . .
O20 O 0.6733(3) 0.4215(3) 0.38424(16) 0.0402(12) Uani 1 1 d . . . . .
O21 O 0.4949(3) 0.3465(3) 0.37945(17) 0.0508(14) Uani 1 1 d . . . . .
O3W O 0.5552(3) 0.6652(3) 0.71100(16) 0.0325(10) Uani 1 1 d . . . . .
O4W O 1.0000 1.0000 0.6188(4) 0.049(3) Uani 1 3 d S T P . .
O5W O 0.6524(3) 0.8611(3) 0.6989(3) 0.0670(19) Uani 1 1 d . . . . .
O6W O 0.4362(4) 0.4686(4) 0.6895(3) 0.0777(19) Uani 1 1 d . U . . .
O7W O 0.3322(3) 0.5662(4) 0.7089(2) 0.0665(19) Uani 1 1 d . . . . .
O8W O 1.0931(4) 1.1132(4) 0.6692(3) 0.0783(19) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nb1 O11 1.778(4) . ?
Nb1 O15 1.934(5) 5_656 ?
Nb1 O13 1.947(4) . ?
Nb1 O9 2.038(4) . ?
Nb1 O2 2.062(4) 5_656 ?
Nb1 O8 2.3707(6) . ?
Nb1 Nb3 3.3265(8) . ?
Nb1 Nb3 3.3326(9) 5_656 ?
Nb1 Dy1 3.5152(6) . ?
Nb2 O3 1.796(4) . ?
Nb2 O10 1.909(4) . ?
Nb2 O9 1.984(4) . ?
Nb2 O2 1.996(4) . ?
Nb2 O1 2.067(3) . ?
Nb2 O8 2.341(4) . ?
Nb2 Nb3 3.3036(8) . ?
Nb2 Dy1 3.4279(6) . ?
Nb2 Dy1 3.4460(6) 5_656 ?
Nb3 O16 1.783(5) . ?
Nb3 O12 1.966(3) . ?
Nb3 O13 1.993(5) . ?
Nb3 O15 1.996(5) . ?
Nb3 O10 2.037(5) . ?
Nb3 O8 2.400(4) . ?
Nb3 Nb1 3.3326(9) 5_656 ?
Nb3 Nb3 3.3556(12) 5_656 ?
Nb4 O19 1.777(5) . ?
Nb4 O17 1.914(5) . ?
Nb4 O18 1.930(5) . ?
Nb4 O6 2.080(4) . ?
Nb4 O6 2.089(4) 2_655 ?
Nb4 O14 2.379(4) . ?
Nb4 Cr1 3.0519(14) . ?
Nb4 Nb5 3.3094(9) 3_665 ?
Nb4 Nb5 3.3247(9) . ?
Nb5 O21 1.755(5) . ?
Nb5 O20 1.983(5) 2_655 ?
Nb5 O20 1.986(5) . ?
Nb5 O18 2.016(5) . ?
Nb5 O17 2.015(5) 2_655 ?
Nb5 O14 2.384(4) . ?
Nb5 Nb4 3.3093(9) 2_655 ?
Nb5 Nb5 3.3539(11) 2_655 ?
Nb5 Nb5 3.3539(11) 3_665 ?
Dy1 O4 2.261(2) . ?
Dy1 O3 2.334(4) 3_665 ?
Dy1 O5 2.372(4) . ?
Dy1 O9 2.412(4) . ?
Dy1 O2 2.415(4) 5_656 ?
Dy1 O7 2.428(4) . ?
Dy1 O1 2.4383(16) . ?
Dy1 O5 2.448(4) 3_665 ?
Dy1 Cr1 3.4447(13) . ?
Dy1 Nb2 3.4460(6) 5_656 ?
Cr1 O6 1.971(4) 3_665 ?
Cr1 O6 1.971(5) . ?
Cr1 O6 1.971(4) 2_655 ?
Cr1 O5 1.983(4) . ?
Cr1 O5 1.983(4) 3_665 ?
Cr1 O5 1.983(4) 2_655 ?
Cr1 Nb4 3.0519(14) 3_665 ?
Cr1 Nb4 3.0519(14) 2_655 ?
Cr1 Dy1 3.4448(13) 3_665 ?
Cr1 Dy1 3.4448(13) 2_655 ?
Na1 O5W 2.330(7) . ?
Na1 O5W 2.330(7) 6_566 ?
Na1 O3W 2.413(4) 6_566 ?
Na1 O3W 2.413(4) . ?
Na1 O7W 2.441(7) 2_665 ?
Na1 O7W 2.441(7) 4_666 ?
Na1 Na2 3.558(4) 2_665 ?
Na1 Na2 3.558(4) . ?
Na2 O3W 2.380(4) . ?
Na2 O3W 2.380(4) 4_666 ?
Na2 O6W 2.417(8) . ?
Na2 O6W 2.417(8) 4_666 ?
Na2 O7W 2.450(7) 4_666 ?
Na2 O7W 2.450(7) . ?
Na2 Na1 3.558(4) 3_565 ?
O1 Nb2 2.067(3) 5_656 ?
O1 Dy1 2.4383(16) 5_656 ?
O2 Nb1 2.062(4) 5_656 ?
O2 Dy1 2.415(4) 5_656 ?
O3 Dy1 2.334(4) 2_655 ?
O4 Dy1 2.261(2) 3_665 ?
O4 Dy1 2.261(2) 2_655 ?
O5 Dy1 2.448(4) 2_655 ?
O6 Nb4 2.089(4) 3_665 ?
O8 Nb2 2.341(4) 5_656 ?
O8 Nb1 2.3708(6) 5_656 ?
O8 Nb3 2.400(4) 5_656 ?
O12 Nb3 1.966(3) 5_656 ?
O14 Nb4 2.379(4) 3_665 ?
O14 Nb4 2.379(4) 2_655 ?
O14 Nb5 2.385(4) 2_655 ?
O14 Nb5 2.385(4) 3_665 ?
O15 Nb1 1.934(4) 5_656 ?
O17 Nb5 2.015(5) 3_665 ?
O20 Nb5 1.983(5) 3_665 ?
O7W Na1 2.441(7) 3_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 Nb1 O15 103.9(2) . 5_656 ?
O11 Nb1 O13 102.7(2) . . ?
O15 Nb1 O13 92.0(2) 5_656 . ?
O11 Nb1 O9 101.3(2) . . ?
O15 Nb1 O9 153.83(18) 5_656 . ?
O13 Nb1 O9 89.32(18) . . ?
O11 Nb1 O2 101.50(19) . 5_656 ?
O15 Nb1 O2 89.03(18) 5_656 5_656 ?
O13 Nb1 O2 154.72(18) . 5_656 ?
O9 Nb1 O2 78.98(16) . 5_656 ?
O11 Nb1 O8 177.0(2) . . ?
O15 Nb1 O8 78.51(16) 5_656 . ?
O13 Nb1 O8 78.90(16) . . ?
O9 Nb1 O8 76.13(16) . . ?
O2 Nb1 O8 76.58(15) 5_656 . ?
O11 Nb1 Nb3 135.56(15) . . ?
O15 Nb1 Nb3 83.34(13) 5_656 . ?
O13 Nb1 Nb3 32.83(14) . . ?
O9 Nb1 Nb3 83.76(12) . . ?
O2 Nb1 Nb3 122.64(12) 5_656 . ?
O8 Nb1 Nb3 46.15(9) . . ?
O11 Nb1 Nb3 136.44(16) . 5_656 ?
O15 Nb1 Nb3 32.57(13) 5_656 5_656 ?
O13 Nb1 Nb3 83.31(15) . 5_656 ?
O9 Nb1 Nb3 122.09(12) . 5_656 ?
O2 Nb1 Nb3 84.11(12) 5_656 5_656 ?
O8 Nb1 Nb3 46.05(10) . 5_656 ?
Nb3 Nb1 Nb3 60.52(2) . 5_656 ?
O11 Nb1 Dy1 89.62(15) . . ?
O15 Nb1 Dy1 131.02(14) 5_656 . ?
O13 Nb1 Dy1 131.06(14) . . ?
O9 Nb1 Dy1 41.74(12) . . ?
O2 Nb1 Dy1 41.99(11) 5_656 . ?
O8 Nb1 Dy1 87.39(13) . . ?
Nb3 Nb1 Dy1 118.778(19) . . ?
Nb3 Nb1 Dy1 118.98(2) 5_656 . ?
O3 Nb2 O10 106.7(2) . . ?
O3 Nb2 O9 99.46(18) . . ?
O10 Nb2 O9 92.92(18) . . ?
O3 Nb2 O2 102.68(18) . . ?
O10 Nb2 O2 93.19(19) . . ?
O9 Nb2 O2 154.24(17) . . ?
O3 Nb2 O1 96.04(18) . . ?
O10 Nb2 O1 157.27(19) . . ?
O9 Nb2 O1 82.43(12) . . ?
O2 Nb2 O1 82.31(12) . . ?
O3 Nb2 O8 172.11(16) . . ?
O10 Nb2 O8 80.96(17) . . ?
O9 Nb2 O8 77.81(12) . . ?
O2 Nb2 O8 78.49(12) . . ?
O1 Nb2 O8 76.31(16) . . ?
O3 Nb2 Nb3 141.04(13) . . ?
O10 Nb2 Nb3 34.40(14) . . ?
O9 Nb2 Nb3 85.16(12) . . ?
O2 Nb2 Nb3 85.86(12) . . ?
O1 Nb2 Nb3 122.87(13) . . ?
O8 Nb2 Nb3 46.56(10) . . ?
O3 Nb2 Dy1 83.11(13) . . ?
O10 Nb2 Dy1 136.32(14) . . ?
O9 Nb2 Dy1 43.49(12) . . ?
O2 Nb2 Dy1 126.85(11) . . ?
O1 Nb2 Dy1 44.67(3) . . ?
O8 Nb2 Dy1 89.95(7) . . ?
Nb3 Nb2 Dy1 122.042(18) . . ?
O3 Nb2 Dy1 86.22(13) . 5_656 ?
O10 Nb2 Dy1 136.38(15) . 5_656 ?
O9 Nb2 Dy1 126.62(12) . 5_656 ?
O2 Nb2 Dy1 43.22(11) . 5_656 ?
O1 Nb2 Dy1 44.26(3) . 5_656 ?
O8 Nb2 Dy1 89.51(7) . 5_656 ?
Nb3 Nb2 Dy1 121.878(19) . 5_656 ?
Dy1 Nb2 Dy1 85.649(14) . 5_656 ?
O16 Nb3 O12 105.6(2) . . ?
O16 Nb3 O13 101.5(2) . . ?
O12 Nb3 O13 88.37(15) . . ?
O16 Nb3 O15 104.4(2) . . ?
O12 Nb3 O15 88.37(14) . . ?
O13 Nb3 O15 153.86(18) . . ?
O16 Nb3 O10 100.2(2) . . ?
O12 Nb3 O10 154.11(19) . . ?
O13 Nb3 O10 86.10(19) . . ?
O15 Nb3 O10 85.60(19) . . ?
O16 Nb3 O8 177.1(2) . . ?
O12 Nb3 O8 77.05(18) . . ?
O13 Nb3 O8 77.33(13) . . ?
O15 Nb3 O8 76.66(12) . . ?
O10 Nb3 O8 77.06(15) . . ?
O16 Nb3 Nb2 132.19(19) . . ?
O12 Nb3 Nb2 122.15(15) . . ?
O13 Nb3 Nb2 80.24(13) . . ?
O15 Nb3 Nb2 79.62(13) . . ?
O10 Nb3 Nb2 31.95(12) . . ?
O8 Nb3 Nb2 45.11(9) . . ?
O16 Nb3 Nb1 133.47(18) . . ?
O12 Nb3 Nb1 80.00(10) . . ?
O13 Nb3 Nb1 31.98(13) . . ?
O15 Nb3 Nb1 122.10(12) . . ?
O10 Nb3 Nb1 81.98(12) . . ?
O8 Nb3 Nb1 45.431(14) . . ?
Nb2 Nb3 Nb1 61.105(16) . . ?
O16 Nb3 Nb1 135.78(18) . 5_656 ?
O12 Nb3 Nb1 79.84(11) . 5_656 ?
O13 Nb3 Nb1 122.66(13) . 5_656 ?
O15 Nb3 Nb1 31.43(12) . 5_656 ?
O10 Nb3 Nb1 81.95(13) . 5_656 ?
O8 Nb3 Nb1 45.331(14) . 5_656 ?
Nb2 Nb3 Nb1 61.131(16) . 5_656 ?
Nb1 Nb3 Nb1 90.73(2) . 5_656 ?
O16 Nb3 Nb3 137.05(19) . 5_656 ?
O12 Nb3 Nb3 31.41(15) . 5_656 ?
O13 Nb3 Nb3 82.06(14) . 5_656 ?
O15 Nb3 Nb3 81.71(13) . 5_656 ?
O10 Nb3 Nb3 122.70(12) . 5_656 ?
O8 Nb3 Nb3 45.64(9) . 5_656 ?
Nb2 Nb3 Nb3 90.748(13) . 5_656 ?
Nb1 Nb3 Nb3 59.830(19) . 5_656 ?
Nb1 Nb3 Nb3 59.65(2) 5_656 5_656 ?
O19 Nb4 O17 104.5(2) . . ?
O19 Nb4 O18 105.2(2) . . ?
O17 Nb4 O18 93.8(2) . . ?
O19 Nb4 O6 99.1(2) . . ?
O17 Nb4 O6 89.40(19) . . ?
O18 Nb4 O6 153.88(19) . . ?
O19 Nb4 O6 99.5(2) . 2_655 ?
O17 Nb4 O6 154.33(19) . 2_655 ?
O18 Nb4 O6 88.7(2) . 2_655 ?
O6 Nb4 O6 77.7(3) . 2_655 ?
O19 Nb4 O14 173.8(2) . . ?
O17 Nb4 O14 79.52(17) . . ?
O18 Nb4 O14 79.06(17) . . ?
O6 Nb4 O14 76.06(17) . . ?
O6 Nb4 O14 75.89(16) 2_655 . ?
O19 Nb4 Cr1 92.55(17) . . ?
O17 Nb4 Cr1 128.77(15) . . ?
O18 Nb4 Cr1 128.09(15) . . ?
O6 Nb4 Cr1 39.78(12) . . ?
O6 Nb4 Cr1 39.81(12) 2_655 . ?
O14 Nb4 Cr1 81.26(14) . . ?
O19 Nb4 Nb5 138.04(19) . 3_665 ?
O17 Nb4 Nb5 33.57(14) . 3_665 ?
O18 Nb4 Nb5 84.40(15) . 3_665 ?
O6 Nb4 Nb5 84.08(12) . 3_665 ?
O6 Nb4 Nb5 121.83(12) 2_655 3_665 ?
O14 Nb4 Nb5 46.06(10) . 3_665 ?
Cr1 Nb4 Nb5 113.73(3) . 3_665 ?
O19 Nb4 Nb5 138.54(18) . . ?
O17 Nb4 Nb5 84.61(14) . . ?
O18 Nb4 Nb5 33.38(14) . . ?
O6 Nb4 Nb5 121.70(12) . . ?
O6 Nb4 Nb5 83.55(11) 2_655 . ?
O14 Nb4 Nb5 45.80(10) . . ?
Cr1 Nb4 Nb5 113.30(3) . . ?
Nb5 Nb4 Nb5 60.74(2) 3_665 . ?
O21 Nb5 O20 103.3(2) . 2_655 ?
O21 Nb5 O20 103.8(2) . . ?
O20 Nb5 O20 89.6(3) 2_655 . ?
O21 Nb5 O18 101.6(2) . . ?
O20 Nb5 O18 154.89(19) 2_655 . ?
O20 Nb5 O18 87.1(2) . . ?
O21 Nb5 O17 101.0(2) . 2_655 ?
O20 Nb5 O17 87.5(2) 2_655 2_655 ?
O20 Nb5 O17 154.96(19) . 2_655 ?
O18 Nb5 O17 85.1(2) . 2_655 ?
O21 Nb5 O14 178.2(2) . . ?
O20 Nb5 O14 77.64(17) 2_655 . ?
O20 Nb5 O14 77.59(17) . . ?
O18 Nb5 O14 77.33(17) . . ?
O17 Nb5 O14 77.50(16) 2_655 . ?
O21 Nb5 Nb4 132.66(18) . 2_655 ?
O20 Nb5 Nb4 79.38(14) 2_655 2_655 ?
O20 Nb5 Nb4 123.50(14) . 2_655 ?
O18 Nb5 Nb4 81.80(13) . 2_655 ?
O17 Nb5 Nb4 31.69(13) 2_655 2_655 ?
O14 Nb5 Nb4 45.92(9) . 2_655 ?
O21 Nb5 Nb4 133.35(19) . . ?
O20 Nb5 Nb4 123.30(14) 2_655 . ?
O20 Nb5 Nb4 78.93(14) . . ?
O18 Nb5 Nb4 31.79(14) . . ?
O17 Nb5 Nb4 81.94(13) 2_655 . ?
O14 Nb5 Nb4 45.66(9) . . ?
Nb4 Nb5 Nb4 63.24(2) 2_655 . ?
O21 Nb5 Nb5 135.70(19) . 2_655 ?
O20 Nb5 Nb5 32.36(14) 2_655 2_655 ?
O20 Nb5 Nb5 81.90(15) . 2_655 ?
O18 Nb5 Nb5 122.64(14) . 2_655 ?
O17 Nb5 Nb5 82.41(14) 2_655 2_655 ?
O14 Nb5 Nb5 45.31(10) . 2_655 ?
Nb4 Nb5 Nb5 59.861(18) 2_655 2_655 ?
Nb4 Nb5 Nb5 90.942(15) . 2_655 ?
O21 Nb5 Nb5 136.13(18) . 3_665 ?
O20 Nb5 Nb5 81.94(14) 2_655 3_665 ?
O20 Nb5 Nb5 32.30(14) . 3_665 ?
O18 Nb5 Nb5 82.00(15) . 3_665 ?
O17 Nb5 Nb5 122.80(13) 2_655 3_665 ?
O14 Nb5 Nb5 45.31(10) . 3_665 ?
Nb4 Nb5 Nb5 91.210(15) 2_655 3_665 ?
Nb4 Nb5 Nb5 59.406(18) . 3_665 ?
Nb5 Nb5 Nb5 60.0 2_655 3_665 ?
O4 Dy1 O3 94.35(11) . 3_665 ?
O4 Dy1 O5 71.91(17) . . ?
O3 Dy1 O5 142.05(15) 3_665 . ?
O4 Dy1 O9 115.82(10) . . ?
O3 Dy1 O9 143.83(14) 3_665 . ?
O5 Dy1 O9 70.50(15) . . ?
O4 Dy1 O2 136.07(19) . 5_656 ?
O3 Dy1 O2 79.18(14) 3_665 5_656 ?
O5 Dy1 O2 135.08(14) . 5_656 ?
O9 Dy1 O2 65.39(14) . 5_656 ?
O4 Dy1 O7 139.92(19) . . ?
O3 Dy1 O7 86.97(14) 3_665 . ?
O5 Dy1 O7 82.66(14) . . ?
O9 Dy1 O7 82.29(14) . . ?
O2 Dy1 O7 83.57(14) 5_656 . ?
O4 Dy1 O1 73.84(18) . . ?
O3 Dy1 O1 106.58(11) 3_665 . ?
O5 Dy1 O1 103.20(10) . . ?
O9 Dy1 O1 66.79(14) . . ?
O2 Dy1 O1 66.87(14) 5_656 . ?
O7 Dy1 O1 143.70(17) . . ?
O4 Dy1 O5 70.48(17) . 3_665 ?
O3 Dy1 O5 74.34(14) 3_665 3_665 ?
O5 Dy1 O5 67.7(2) . 3_665 ?
O9 Dy1 O5 132.70(14) . 3_665 ?
O2 Dy1 O5 144.13(14) 5_656 3_665 ?
O7 Dy1 O5 71.41(14) . 3_665 ?
O1 Dy1 O5 144.25(16) . 3_665 ?
O4 Dy1 Nb2 86.31(6) . . ?
O3 Dy1 Nb2 141.11(10) 3_665 . ?
O5 Dy1 Nb2 74.77(10) . . ?
O9 Dy1 Nb2 34.49(10) . . ?
O2 Dy1 Nb2 73.88(9) 5_656 . ?
O7 Dy1 Nb2 116.70(11) . . ?
O1 Dy1 Nb2 36.57(7) . . ?
O5 Dy1 Nb2 140.36(11) 3_665 . ?
O4 Dy1 Cr1 71.54(16) . . ?
O3 Dy1 Cr1 108.48(10) 3_665 . ?
O5 Dy1 Cr1 33.91(11) . . ?
O9 Dy1 Cr1 100.11(10) . . ?
O2 Dy1 Cr1 151.80(10) 5_656 . ?
O7 Dy1 Cr1 70.13(11) . . ?
O1 Dy1 Cr1 131.81(6) . . ?
O5 Dy1 Cr1 34.33(10) 3_665 . ?
Nb2 Dy1 Cr1 108.544(12) . . ?
O4 Dy1 Nb2 101.74(16) . 5_656 ?
O3 Dy1 Nb2 81.88(10) 3_665 5_656 ?
O5 Dy1 Nb2 134.83(10) . 5_656 ?
O9 Dy1 Nb2 73.19(10) . 5_656 ?
O2 Dy1 Nb2 34.47(10) 5_656 5_656 ?
O7 Dy1 Nb2 118.04(11) . 5_656 ?
O1 Dy1 Nb2 36.27(7) . 5_656 ?
O5 Dy1 Nb2 154.07(10) 3_665 5_656 ?
Nb2 Dy1 Nb2 60.096(17) . 5_656 ?
Cr1 Dy1 Nb2 167.739(15) . 5_656 ?
O4 Dy1 Nb1 144.01(8) . . ?
O3 Dy1 Nb1 109.85(10) 3_665 . ?
O5 Dy1 Nb1 100.57(11) . . ?
O9 Dy1 Nb1 34.23(10) . . ?
O2 Dy1 Nb1 34.83(10) 5_656 . ?
O7 Dy1 Nb1 69.81(11) . . ?
O1 Dy1 Nb1 73.91(12) . . ?
O5 Dy1 Nb1 140.62(10) 3_665 . ?
Nb2 Dy1 Nb1 58.064(13) . . ?
Cr1 Dy1 Nb1 121.650(18) . . ?
Nb2 Dy1 Nb1 57.987(14) 5_656 . ?
O6 Cr1 O6 83.14(19) 3_665 . ?
O6 Cr1 O6 83.14(19) 3_665 2_655 ?
O6 Cr1 O6 83.14(19) . 2_655 ?
O6 Cr1 O5 178.42(19) 3_665 . ?
O6 Cr1 O5 96.15(17) . . ?
O6 Cr1 O5 95.38(17) 2_655 . ?
O6 Cr1 O5 96.16(17) 3_665 3_665 ?
O6 Cr1 O5 95.38(17) . 3_665 ?
O6 Cr1 O5 178.42(19) 2_655 3_665 ?
O5 Cr1 O5 85.31(19) . 3_665 ?
O6 Cr1 O5 95.38(17) 3_665 2_655 ?
O6 Cr1 O5 178.42(19) . 2_655 ?
O6 Cr1 O5 96.16(17) 2_655 2_655 ?
O5 Cr1 O5 85.31(19) . 2_655 ?
O5 Cr1 O5 85.31(19) 3_665 2_655 ?
O6 Cr1 Nb4 42.48(13) 3_665 3_665 ?
O6 Cr1 Nb4 42.74(13) . 3_665 ?
O6 Cr1 Nb4 91.16(14) 2_655 3_665 ?
O5 Cr1 Nb4 137.20(12) . 3_665 ?
O5 Cr1 Nb4 87.37(12) 3_665 3_665 ?
O5 Cr1 Nb4 135.97(12) 2_655 3_665 ?
O6 Cr1 Nb4 42.74(13) 3_665 2_655 ?
O6 Cr1 Nb4 91.16(14) . 2_655 ?
O6 Cr1 Nb4 42.48(12) 2_655 2_655 ?
O5 Cr1 Nb4 135.97(12) . 2_655 ?
O5 Cr1 Nb4 137.20(12) 3_665 2_655 ?
O5 Cr1 Nb4 87.37(13) 2_655 2_655 ?
Nb4 Cr1 Nb4 69.48(4) 3_665 2_655 ?
O6 Cr1 Nb4 91.16(14) 3_665 . ?
O6 Cr1 Nb4 42.48(12) . . ?
O6 Cr1 Nb4 42.74(13) 2_655 . ?
O5 Cr1 Nb4 87.37(12) . . ?
O5 Cr1 Nb4 135.97(12) 3_665 . ?
O5 Cr1 Nb4 137.20(12) 2_655 . ?
Nb4 Cr1 Nb4 69.48(4) 3_665 . ?
Nb4 Cr1 Nb4 69.48(4) 2_655 . ?
O6 Cr1 Dy1 139.49(13) 3_665 . ?
O6 Cr1 Dy1 91.85(13) . . ?
O6 Cr1 Dy1 136.32(12) 2_655 . ?
O5 Cr1 Dy1 41.86(12) . . ?
O5 Cr1 Dy1 44.13(12) 3_665 . ?
O5 Cr1 Dy1 89.63(14) 2_655 . ?
Nb4 Cr1 Dy1 113.961(13) 3_665 . ?
Nb4 Cr1 Dy1 176.53(3) 2_655 . ?
Nb4 Cr1 Dy1 111.825(13) . . ?
O6 Cr1 Dy1 91.85(13) 3_665 3_665 ?
O6 Cr1 Dy1 136.32(12) . 3_665 ?
O6 Cr1 Dy1 139.49(13) 2_655 3_665 ?
O5 Cr1 Dy1 89.64(13) . 3_665 ?
O5 Cr1 Dy1 41.86(12) 3_665 3_665 ?
O5 Cr1 Dy1 44.13(12) 2_655 3_665 ?
Nb4 Cr1 Dy1 111.825(13) 3_665 3_665 ?
Nb4 Cr1 Dy1 113.961(13) 2_655 3_665 ?
Nb4 Cr1 Dy1 176.53(3) . 3_665 ?
Dy1 Cr1 Dy1 64.71(3) . 3_665 ?
O6 Cr1 Dy1 136.32(12) 3_665 2_655 ?
O6 Cr1 Dy1 139.49(13) . 2_655 ?
O6 Cr1 Dy1 91.85(13) 2_655 2_655 ?
O5 Cr1 Dy1 44.13(12) . 2_655 ?
O5 Cr1 Dy1 89.63(13) 3_665 2_655 ?
O5 Cr1 Dy1 41.86(12) 2_655 2_655 ?
Nb4 Cr1 Dy1 176.53(3) 3_665 2_655 ?
Nb4 Cr1 Dy1 111.825(13) 2_655 2_655 ?
Nb4 Cr1 Dy1 113.962(13) . 2_655 ?
Dy1 Cr1 Dy1 64.71(3) . 2_655 ?
Dy1 Cr1 Dy1 64.71(3) 3_665 2_655 ?
O5W Na1 O5W 88.0(4) . 6_566 ?
O5W Na1 O3W 91.23(19) . 6_566 ?
O5W Na1 O3W 86.11(19) 6_566 6_566 ?
O5W Na1 O3W 86.11(19) . . ?
O5W Na1 O3W 91.23(19) 6_566 . ?
O3W Na1 O3W 176.3(3) 6_566 . ?
O5W Na1 O7W 98.5(2) . 2_665 ?
O5W Na1 O7W 169.2(2) 6_566 2_665 ?
O3W Na1 O7W 85.13(19) 6_566 2_665 ?
O3W Na1 O7W 97.8(2) . 2_665 ?
O5W Na1 O7W 169.2(2) . 4_666 ?
O5W Na1 O7W 98.5(2) 6_566 4_666 ?
O3W Na1 O7W 97.8(2) 6_566 4_666 ?
O3W Na1 O7W 85.1(2) . 4_666 ?
O7W Na1 O7W 76.5(4) 2_665 4_666 ?
O5W Na1 Na2 96.76(16) . 2_665 ?
O5W Na1 Na2 127.49(15) 6_566 2_665 ?
O3W Na1 Na2 41.71(12) 6_566 2_665 ?
O3W Na1 Na2 141.18(16) . 2_665 ?
O7W Na1 Na2 43.43(16) 2_665 2_665 ?
O7W Na1 Na2 86.2(2) 4_666 2_665 ?
O5W Na1 Na2 127.49(15) . . ?
O5W Na1 Na2 96.76(16) 6_566 . ?
O3W Na1 Na2 141.18(16) 6_566 . ?
O3W Na1 Na2 41.71(13) . . ?
O7W Na1 Na2 86.2(2) 2_665 . ?
O7W Na1 Na2 43.43(16) 4_666 . ?
Na2 Na1 Na2 119.37(18) 2_665 . ?
O3W Na2 O3W 174.0(3) . 4_666 ?
O3W Na2 O6W 87.5(2) . . ?
O3W Na2 O6W 89.1(2) 4_666 . ?
O3W Na2 O6W 89.1(2) . 4_666 ?
O3W Na2 O6W 87.5(2) 4_666 4_666 ?
O6W Na2 O6W 109.2(4) . 4_666 ?
O3W Na2 O7W 85.7(2) . 4_666 ?
O3W Na2 O7W 99.0(2) 4_666 4_666 ?
O6W Na2 O7W 162.0(3) . 4_666 ?
O6W Na2 O7W 87.4(2) 4_666 4_666 ?
O3W Na2 O7W 99.0(2) . . ?
O3W Na2 O7W 85.7(2) 4_666 . ?
O6W Na2 O7W 87.4(2) . . ?
O6W Na2 O7W 162.0(3) 4_666 . ?
O7W Na2 O7W 77.3(4) 4_666 . ?
O3W Na2 Na1 42.44(13) . . ?
O3W Na2 Na1 142.15(17) 4_666 . ?
O6W Na2 Na1 127.73(17) . . ?
O6W Na2 Na1 87.83(18) 4_666 . ?
O7W Na2 Na1 43.23(15) 4_666 . ?
O7W Na2 Na1 87.4(2) . . ?
O3W Na2 Na1 142.15(17) . 3_565 ?
O3W Na2 Na1 42.44(13) 4_666 3_565 ?
O6W Na2 Na1 87.83(18) . 3_565 ?
O6W Na2 Na1 127.73(17) 4_666 3_565 ?
O7W Na2 Na1 87.4(2) 4_666 3_565 ?
O7W Na2 Na1 43.23(15) . 3_565 ?
Na1 Na2 Na1 120.63(17) . 3_565 ?
Nb2 O1 Nb2 112.8(3) . 5_656 ?
Nb2 O1 Dy1 98.76(4) . . ?
Nb2 O1 Dy1 99.47(4) 5_656 . ?
Nb2 O1 Dy1 99.47(4) . 5_656 ?
Nb2 O1 Dy1 98.76(4) 5_656 5_656 ?
Dy1 O1 Dy1 146.7(2) . 5_656 ?
Nb2 O2 Nb1 112.52(19) . 5_656 ?
Nb2 O2 Dy1 102.31(16) . 5_656 ?
Nb1 O2 Dy1 103.18(16) 5_656 5_656 ?
Nb2 O3 Dy1 137.7(2) . 2_655 ?
Dy1 O4 Dy1 109.23(16) . 3_665 ?
Dy1 O4 Dy1 109.23(16) . 2_655 ?
Dy1 O4 Dy1 109.23(16) 3_665 2_655 ?
Cr1 O5 Dy1 104.22(18) . . ?
Cr1 O5 Dy1 101.54(17) . 2_655 ?
Dy1 O5 Dy1 99.80(15) . 2_655 ?
Cr1 O6 Nb4 97.74(19) . . ?
Cr1 O6 Nb4 97.4(2) . 3_665 ?
Nb4 O6 Nb4 113.10(19) . 3_665 ?
Nb2 O8 Nb2 94.6(2) . 5_656 ?
Nb2 O8 Nb1 91.33(9) . . ?
Nb2 O8 Nb1 91.48(9) 5_656 . ?
Nb2 O8 Nb1 91.48(9) . 5_656 ?
Nb2 O8 Nb1 91.33(9) 5_656 5_656 ?
Nb1 O8 Nb1 175.9(3) . 5_656 ?
Nb2 O8 Nb3 88.33(2) . . ?
Nb2 O8 Nb3 177.04(19) 5_656 . ?
Nb1 O8 Nb3 88.42(10) . . ?
Nb1 O8 Nb3 88.62(10) 5_656 . ?
Nb2 O8 Nb3 177.05(19) . 5_656 ?
Nb2 O8 Nb3 88.33(2) 5_656 5_656 ?
Nb1 O8 Nb3 88.62(10) . 5_656 ?
Nb1 O8 Nb3 88.42(10) 5_656 5_656 ?
Nb3 O8 Nb3 88.72(18) . 5_656 ?
Nb2 O9 Nb1 113.8(2) . . ?
Nb2 O9 Dy1 102.02(16) . . ?
Nb1 O9 Dy1 104.03(17) . . ?
Nb2 O10 Nb3 113.7(2) . . ?
Nb3 O12 Nb3 117.2(3) . 5_656 ?
Nb1 O13 Nb3 115.2(2) . . ?
Nb4 O14 Nb4 93.97(19) . 3_665 ?
Nb4 O14 Nb4 93.97(19) . 2_655 ?
Nb4 O14 Nb4 93.97(19) 3_665 2_655 ?
Nb4 O14 Nb5 88.54(2) . . ?
Nb4 O14 Nb5 176.7(3) 3_665 . ?
Nb4 O14 Nb5 88.02(2) 2_655 . ?
Nb4 O14 Nb5 176.7(3) . 2_655 ?
Nb4 O14 Nb5 88.02(2) 3_665 2_655 ?
Nb4 O14 Nb5 88.54(2) 2_655 2_655 ?
Nb5 O14 Nb5 89.38(19) . 2_655 ?
Nb4 O14 Nb5 88.02(2) . 3_665 ?
Nb4 O14 Nb5 88.54(2) 3_665 3_665 ?
Nb4 O14 Nb5 176.7(3) 2_655 3_665 ?
Nb5 O14 Nb5 89.38(19) . 3_665 ?
Nb5 O14 Nb5 89.38(19) 2_655 3_665 ?
Nb1 O15 Nb3 116.0(2) 5_656 . ?
Nb4 O17 Nb5 114.7(2) . 3_665 ?
Nb4 O18 Nb5 114.8(2) . . ?
Nb5 O20 Nb5 115.3(2) 3_665 . ?
Na2 O3W Na1 95.9(2) . . ?
Na1 O7W Na2 93.3(2) 3_565 . ?

_refine_diff_density_max         2.972
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.235

_shelxl_version_number           2014-3


# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.005 -0.003 0.000 1573.6 40.4
2 0.000 0.000 0.250 12.2 14.1
3 -0.010 0.734 0.500 1573.7 40.3
4 0.000 0.000 0.750 12.3 14.7
_platon_squeeze_details          
; ?
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2088429'
loop_
_audit_author_name
_audit_author_address
'Yudiao Lin' 'Fuzhou University'
_audit_update_record             
;
2021-06-07 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
_audit_creation_date             2021-06-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Dy6 Mn2 Nb30 O109, Na6 O24, 8(O)'
_chemical_formula_sum            'Dy6 Mn2 Na6 Nb30 O148'
_chemical_formula_weight         6378.12
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   19.0042(7)
_cell_length_b                   19.0042(7)
_cell_length_c                   28.9507(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9055.0(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    97847
_cell_measurement_temperature    175
_cell_measurement_theta_max      25.008
_cell_measurement_theta_min      2.446
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.502
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5374
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0828 before and 0.0550 after correction.
The Ratio of minimum to maximum transmission is 0.7211.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             5852
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            93774
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.037
_diffrn_reflns_theta_min         2.143
_diffrn_ambient_temperature      175
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4763
_reflns_number_total             5316
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.567
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.824
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         5316
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0305
_refine_ls_restrained_S_all      0.828
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0489P)²+87.9080P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0811
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O3W) \\sim Ueq, Uanis(O6W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.005
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.55613(2) 0.21957(2) 0.32092(2) 0.01892(8) Uani 1 1 d . . . . .
Nb1 Nb 0.34270(3) 0.11159(3) 0.32180(2) 0.02537(13) Uani 1 1 d . . . . .
Nb2 Nb 0.44453(3) 0.30167(3) 0.27865(2) 0.01938(12) Uani 1 1 d . . . . .
Nb3 Nb 0.24370(3) 0.19923(3) 0.27790(2) 0.03090(14) Uani 1 1 d . . . . .
Nb4 Nb 0.76695(3) 0.44400(3) 0.49535(2) 0.03378(15) Uani 1 1 d . . . . .
Nb5 Nb 0.77269(3) 0.34233(4) 0.58726(2) 0.03315(14) Uani 1 1 d . . . . .
Mn1 Mn 0.6667 0.3333 0.41522(5) 0.0235(3) Uani 1 3 d S T P . .
Na1 Na 0.44105(14) -0.1179(3) 0.2500 0.0566(11) Uani 1 2 d S T P . .
Na2 Na 0.5518(3) -0.22408(13) 0.2500 0.0519(10) Uani 1 2 d S T P . .
O1 O 0.5137(3) 0.25687(14) 0.2500 0.0196(10) Uani 1 2 d S T P . .
O2 O 0.6667 0.3333 0.2948(2) 0.0175(12) Uani 1 3 d S T P . .
O3 O 0.5289(2) 0.3947(2) 0.29962(13) 0.0230(8) Uani 1 1 d . . . . .
O4 O 0.4363(2) 0.3278(2) 0.21274(13) 0.0214(8) Uani 1 1 d . . . . .
O5 O 0.5826(2) 0.3276(2) 0.37217(13) 0.0255(8) Uani 1 1 d . . . . .
O6 O 0.5064(2) 0.1399(2) 0.39108(13) 0.0286(9) Uani 1 1 d . . . . .
O7 O 0.7495(3) 0.3411(3) 0.45899(13) 0.0335(10) Uani 1 1 d . . . . .
O8 O 0.4346(2) 0.2282(2) 0.33012(13) 0.0237(8) Uani 1 1 d . . . . .
O9 O 0.3482(3) 0.17410(14) 0.2500 0.0249(12) Uani 1 2 d S T P . .
O10 O 0.6667 0.3333 0.5389(2) 0.0278(15) Uani 1 3 d S T P . .
O11 O 0.3478(2) 0.3023(2) 0.29599(14) 0.0275(9) Uani 1 1 d . . . . .
O12 O 0.3449(2) 0.0684(2) 0.37587(14) 0.0329(9) Uani 1 1 d . . . . .
O13 O 0.1815(3) 0.09074(16) 0.2500 0.0373(15) Uani 1 2 d S T P . .
O14 O 0.2646(2) 0.1479(2) 0.33198(15) 0.0341(10) Uani 1 1 d . . . . .
O15 O 0.7476(3) 0.4215(3) 0.61616(14) 0.0350(10) Uani 1 1 d . . . . .
O16 O 0.1699(3) 0.2212(3) 0.29985(18) 0.0482(13) Uani 1 1 d . . . . .
O17 O 0.2659(2) 0.0198(2) 0.28566(15) 0.0339(10) Uani 1 1 d . . . . .
O18 O 0.7370(3) 0.5006(3) 0.53838(14) 0.0397(11) Uani 1 1 d . . . . .
O19 O 0.8341(3) 0.4275(3) 0.53865(15) 0.0411(11) Uani 1 1 d . . . . .
O20 O 0.8522(3) 0.3483(3) 0.62114(16) 0.0497(12) Uani 1 1 d . . . . .
O21 O 0.8354(3) 0.5200(3) 0.45709(16) 0.0524(13) Uani 1 1 d . . . . .
O1W O 0.5556(2) -0.1104(2) 0.28884(14) 0.0305(9) Uani 1 1 d . . . . .
O2W O 0.6528(3) -0.2077(3) 0.3001(3) 0.075(2) Uani 1 1 d . . . . .
O3W O 0.4364(4) -0.0324(4) 0.3102(2) 0.0722(17) Uani 1 1 d . U . . .
O4W O 0.0000 0.0000 0.3817(3) 0.040(2) Uani 1 3 d S T P . .
O5W O 0.0916(4) -0.0210(3) 0.3296(3) 0.087(2) Uani 1 1 d . . . . .
O6W O 0.3315(3) -0.2337(4) 0.29093(19) 0.0680(17) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Nb1 3.5129(5) . ?
Dy1 Nb2 3.4412(5) 6 ?
Dy1 Nb2 3.4263(5) . ?
Dy1 Mn1 3.4637(11) . ?
Dy1 O1 2.4369(13) . ?
Dy1 O2 2.262(2) . ?
Dy1 O3 2.325(4) 2_655 ?
Dy1 O4 2.406(3) 6 ?
Dy1 O5 2.459(4) 2_655 ?
Dy1 O5 2.374(4) . ?
Dy1 O6 2.425(4) . ?
Dy1 O8 2.410(4) . ?
Nb1 Nb3 3.3258(7) . ?
Nb1 Nb3 3.3314(8) 6 ?
Nb1 O4 2.067(3) 6 ?
Nb1 O8 2.036(4) . ?
Nb1 O9 2.3703(6) . ?
Nb1 O12 1.778(4) . ?
Nb1 O14 1.946(4) . ?
Nb1 O17 1.929(4) . ?
Nb2 Dy1 3.4412(5) 6 ?
Nb2 Nb3 3.3056(7) . ?
Nb2 O1 2.065(3) . ?
Nb2 O3 1.797(4) . ?
Nb2 O4 1.998(4) . ?
Nb2 O8 1.986(4) . ?
Nb2 O9 2.341(3) . ?
Nb2 O11 1.910(4) . ?
Nb3 Nb1 3.3314(8) 6 ?
Nb3 Nb3 3.3555(11) 6 ?
Nb3 O9 2.403(3) . ?
Nb3 O11 2.037(4) . ?
Nb3 O13 1.966(3) . ?
Nb3 O14 1.987(4) . ?
Nb3 O16 1.769(4) . ?
Nb3 O17 1.995(4) 6 ?
Nb4 Nb5 3.3221(8) . ?
Nb4 Nb5 3.3048(8) 2_655 ?
Nb4 Mn1 3.0707(12) . ?
Nb4 O7 2.096(4) 2_655 ?
Nb4 O7 2.096(4) . ?
Nb4 O10 2.374(3) . ?
Nb4 O18 1.909(4) . ?
Nb4 O19 1.924(4) . ?
Nb4 O21 1.768(5) . ?
Nb5 Nb4 3.3049(8) 3_665 ?
Nb5 Nb5 3.3515(10) 3_665 ?
Nb5 Nb5 3.3515(10) 2_655 ?
Nb5 O10 2.388(4) . ?
Nb5 O15 1.977(4) . ?
Nb5 O15 1.984(4) 3_665 ?
Nb5 O18 2.011(4) 3_665 ?
Nb5 O19 2.018(4) . ?
Nb5 O20 1.756(5) . ?
Mn1 Dy1 3.4637(11) 3_665 ?
Mn1 Dy1 3.4636(11) 2_655 ?
Mn1 Nb4 3.0706(12) 3_665 ?
Mn1 Nb4 3.0706(12) 2_655 ?
Mn1 O5 1.985(4) . ?
Mn1 O5 1.985(4) 3_665 ?
Mn1 O5 1.985(4) 2_655 ?
Mn1 O7 1.968(4) 2_655 ?
Mn1 O7 1.968(4) 3_665 ?
Mn1 O7 1.967(4) . ?
Na1 Na2 3.571(3) 2_545 ?
Na1 Na2 3.571(3) . ?
Na1 O1W 2.390(4) 5_655 ?
Na1 O1W 2.390(4) . ?
Na1 O3W 2.415(7) 5_655 ?
Na1 O3W 2.415(7) . ?
Na1 O6W 2.449(7) . ?
Na1 O6W 2.449(7) 5_655 ?
Na2 Na1 3.571(3) 3_655 ?
Na2 O1W 2.405(4) 6_545 ?
Na2 O1W 2.405(4) . ?
Na2 O2W 2.299(7) 6_545 ?
Na2 O2W 2.299(7) . ?
Na2 O6W 2.445(7) 3_655 ?
Na2 O6W 2.445(7) 5_655 ?
O1 Dy1 2.4370(14) 6 ?
O1 Nb2 2.065(3) 6 ?
O2 Dy1 2.262(2) 3_665 ?
O2 Dy1 2.262(2) 2_655 ?
O3 Dy1 2.325(3) 3_665 ?
O4 Dy1 2.406(3) 6 ?
O4 Nb1 2.067(3) 6 ?
O5 Dy1 2.459(4) 3_665 ?
O7 Nb4 2.096(4) 3_665 ?
O9 Nb1 2.3703(6) 6 ?
O9 Nb2 2.341(3) 6 ?
O9 Nb3 2.403(3) 6 ?
O10 Nb4 2.375(3) 3_665 ?
O10 Nb4 2.375(3) 2_655 ?
O10 Nb5 2.388(4) 3_665 ?
O10 Nb5 2.388(4) 2_655 ?
O13 Nb3 1.965(3) 6 ?
O15 Nb5 1.984(4) 2_655 ?
O17 Nb3 1.995(4) 6 ?
O18 Nb5 2.011(4) 2_655 ?
O6W Na2 2.445(7) 2_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Nb2 Dy1 Nb1 58.111(11) . . ?
Nb2 Dy1 Nb1 58.096(12) 6 . ?
Nb2 Dy1 Nb2 60.193(15) . 6 ?
Nb2 Dy1 Mn1 167.854(13) 6 . ?
Nb2 Dy1 Mn1 108.516(10) . . ?
Mn1 Dy1 Nb1 121.447(16) . . ?
O1 Dy1 Nb1 73.91(11) . . ?
O1 Dy1 Nb2 36.29(6) . 6 ?
O1 Dy1 Nb2 36.55(6) . . ?
O1 Dy1 Mn1 131.91(5) . . ?
O1 Dy1 O5 144.18(13) . 2_655 ?
O2 Dy1 Nb1 144.08(7) . . ?
O2 Dy1 Nb2 101.88(14) . 6 ?
O2 Dy1 Nb2 86.32(5) . . ?
O2 Dy1 Mn1 71.55(14) . . ?
O2 Dy1 O1 73.99(16) . . ?
O2 Dy1 O3 94.19(10) . 2_655 ?
O2 Dy1 O4 136.28(17) . 6 ?
O2 Dy1 O5 70.25(14) . 2_655 ?
O2 Dy1 O5 71.84(15) . . ?
O2 Dy1 O6 139.69(17) . . ?
O2 Dy1 O8 115.82(9) . . ?
O3 Dy1 Nb1 110.12(9) 2_655 . ?
O3 Dy1 Nb2 141.22(9) 2_655 . ?
O3 Dy1 Nb2 81.94(9) 2_655 6 ?
O3 Dy1 Mn1 108.35(9) 2_655 . ?
O3 Dy1 O1 106.64(9) 2_655 . ?
O3 Dy1 O4 79.31(12) 2_655 6 ?
O3 Dy1 O5 141.63(13) 2_655 . ?
O3 Dy1 O5 74.43(13) 2_655 2_655 ?
O3 Dy1 O6 87.34(13) 2_655 . ?
O3 Dy1 O8 144.09(12) 2_655 . ?
O4 Dy1 Nb1 34.94(8) 6 . ?
O4 Dy1 Nb2 74.04(8) 6 . ?
O4 Dy1 Nb2 34.54(9) 6 6 ?
O4 Dy1 Mn1 151.61(9) 6 . ?
O4 Dy1 O1 66.95(12) 6 . ?
O4 Dy1 O5 144.25(12) 6 2_655 ?
O4 Dy1 O6 83.62(13) 6 . ?
O4 Dy1 O8 65.50(12) 6 . ?
O5 Dy1 Nb1 100.63(9) . . ?
O5 Dy1 Nb1 140.58(9) 2_655 . ?
O5 Dy1 Nb2 75.01(9) . . ?
O5 Dy1 Nb2 154.22(9) 2_655 6 ?
O5 Dy1 Nb2 135.17(9) . 6 ?
O5 Dy1 Nb2 140.04(9) 2_655 . ?
O5 Dy1 Mn1 34.12(9) 2_655 . ?
O5 Dy1 Mn1 33.64(9) . . ?
O5 Dy1 O1 103.48(9) . . ?
O5 Dy1 O4 135.29(12) . 6 ?
O5 Dy1 O5 67.23(18) . 2_655 ?
O5 Dy1 O6 82.21(13) . . ?
O5 Dy1 O8 70.64(13) . . ?
O6 Dy1 Nb1 69.73(9) . . ?
O6 Dy1 Nb2 118.17(9) . 6 ?
O6 Dy1 Nb2 116.54(9) . . ?
O6 Dy1 Mn1 69.81(9) . . ?
O6 Dy1 O1 143.62(14) . . ?
O6 Dy1 O5 71.46(13) . 2_655 ?
O8 Dy1 Nb1 34.21(9) . . ?
O8 Dy1 Nb2 34.54(9) . . ?
O8 Dy1 Nb2 73.30(9) . 6 ?
O8 Dy1 Mn1 99.98(9) . . ?
O8 Dy1 O1 66.80(12) . . ?
O8 Dy1 O5 132.44(13) . 2_655 ?
O8 Dy1 O6 82.08(13) . . ?
Nb3 Nb1 Dy1 118.914(18) 6 . ?
Nb3 Nb1 Dy1 118.802(17) . . ?
Nb3 Nb1 Nb3 60.54(2) . 6 ?
O4 Nb1 Dy1 41.80(10) 6 . ?
O4 Nb1 Nb3 122.68(10) 6 . ?
O4 Nb1 Nb3 84.22(10) 6 6 ?
O4 Nb1 O9 76.55(13) 6 . ?
O8 Nb1 Dy1 41.71(10) . . ?
O8 Nb1 Nb3 122.15(11) . 6 ?
O8 Nb1 Nb3 83.85(11) . . ?
O8 Nb1 O4 78.82(14) . 6 ?
O8 Nb1 O9 76.10(14) . . ?
O9 Nb1 Dy1 87.26(11) . . ?
O9 Nb1 Nb3 46.13(8) . 6 ?
O9 Nb1 Nb3 46.23(8) . . ?
O12 Nb1 Dy1 89.37(12) . . ?
O12 Nb1 Nb3 136.51(14) . 6 ?
O12 Nb1 Nb3 135.85(13) . . ?
O12 Nb1 O4 101.14(16) . 6 ?
O12 Nb1 O8 101.09(17) . . ?
O12 Nb1 O9 176.61(18) . . ?
O12 Nb1 O14 103.20(18) . . ?
O12 Nb1 O17 104.02(18) . . ?
O14 Nb1 Dy1 131.03(12) . . ?
O14 Nb1 Nb3 32.65(13) . . ?
O14 Nb1 Nb3 83.23(14) . 6 ?
O14 Nb1 O4 154.56(16) . 6 ?
O14 Nb1 O8 89.32(16) . . ?
O14 Nb1 O9 78.79(15) . . ?
O17 Nb1 Dy1 130.93(12) . . ?
O17 Nb1 Nb3 32.51(12) . 6 ?
O17 Nb1 Nb3 83.31(12) . . ?
O17 Nb1 O4 89.13(16) . 6 ?
O17 Nb1 O8 153.82(16) . . ?
O17 Nb1 O9 78.53(15) . . ?
O17 Nb1 O14 92.05(18) . . ?
Dy1 Nb2 Dy1 85.688(12) . 6 ?
Nb3 Nb2 Dy1 121.969(16) . . ?
Nb3 Nb2 Dy1 121.795(18) . 6 ?
O1 Nb2 Dy1 44.66(3) . . ?
O1 Nb2 Dy1 44.32(3) . 6 ?
O1 Nb2 Nb3 122.72(11) . . ?
O1 Nb2 O9 76.12(14) . . ?
O3 Nb2 Dy1 82.91(11) . . ?
O3 Nb2 Dy1 86.15(12) . 6 ?
O3 Nb2 Nb3 141.33(11) . . ?
O3 Nb2 O1 95.89(16) . . ?
O3 Nb2 O4 102.73(15) . . ?
O3 Nb2 O8 99.37(16) . . ?
O3 Nb2 O9 171.75(14) . . ?
O3 Nb2 O11 107.03(16) . . ?
O4 Nb2 Dy1 126.72(10) . . ?
O4 Nb2 Dy1 43.06(10) . 6 ?
O4 Nb2 Nb3 85.94(10) . . ?
O4 Nb2 O1 82.20(10) . . ?
O4 Nb2 O9 78.53(10) . . ?
O8 Nb2 Dy1 43.47(10) . . ?
O8 Nb2 Dy1 126.63(11) . 6 ?
O8 Nb2 Nb3 85.13(10) . . ?
O8 Nb2 O1 82.37(11) . . ?
O8 Nb2 O4 154.16(15) . . ?
O8 Nb2 O9 77.72(11) . . ?
O9 Nb2 Dy1 89.81(6) . . ?
O9 Nb2 Dy1 89.44(6) . 6 ?
O9 Nb2 Nb3 46.60(9) . . ?
O11 Nb2 Dy1 136.14(12) . 6 ?
O11 Nb2 Dy1 136.47(12) . . ?
O11 Nb2 Nb3 34.35(12) . . ?
O11 Nb2 O1 157.07(16) . . ?
O11 Nb2 O4 93.11(16) . . ?
O11 Nb2 O8 93.08(16) . . ?
O11 Nb2 O9 80.95(15) . . ?
Nb1 Nb3 Nb1 90.728(19) . 6 ?
Nb1 Nb3 Nb3 59.650(18) 6 6 ?
Nb1 Nb3 Nb3 59.815(17) . 6 ?
Nb2 Nb3 Nb1 61.104(14) . . ?
Nb2 Nb3 Nb1 61.173(15) . 6 ?
Nb2 Nb3 Nb3 90.766(12) . 6 ?
O9 Nb3 Nb1 45.339(13) . 6 ?
O9 Nb3 Nb1 45.430(13) . . ?
O9 Nb3 Nb2 45.06(8) . . ?
O9 Nb3 Nb3 45.71(8) . 6 ?
O11 Nb3 Nb1 81.90(11) . 6 ?
O11 Nb3 Nb1 82.07(11) . . ?
O11 Nb3 Nb2 31.95(10) . . ?
O11 Nb3 Nb3 122.71(11) . 6 ?
O11 Nb3 O9 77.00(13) . . ?
O13 Nb3 Nb1 79.83(9) . 6 ?
O13 Nb3 Nb1 79.98(9) . . ?
O13 Nb3 Nb2 122.16(13) . . ?
O13 Nb3 Nb3 31.39(13) . 6 ?
O13 Nb3 O9 77.10(15) . . ?
O13 Nb3 O11 154.11(17) . . ?
O13 Nb3 O14 88.38(13) . . ?
O13 Nb3 O17 88.32(12) . 6 ?
O14 Nb3 Nb1 31.90(11) . . ?
O14 Nb3 Nb1 122.59(11) . 6 ?
O14 Nb3 Nb2 80.14(11) . . ?
O14 Nb3 Nb3 82.03(12) . 6 ?
O14 Nb3 O9 77.25(11) . . ?
O14 Nb3 O11 86.15(16) . . ?
O14 Nb3 O17 153.66(16) . 6 ?
O16 Nb3 Nb1 135.28(16) . 6 ?
O16 Nb3 Nb1 133.99(16) . . ?
O16 Nb3 Nb2 132.61(17) . . ?
O16 Nb3 Nb3 136.62(17) . 6 ?
O16 Nb3 O9 177.6(2) . . ?
O16 Nb3 O11 100.7(2) . . ?
O16 Nb3 O13 105.2(2) . . ?
O16 Nb3 O14 102.1(2) . . ?
O16 Nb3 O17 103.99(19) . 6 ?
O17 Nb3 Nb1 121.97(11) 6 . ?
O17 Nb3 Nb1 31.31(11) 6 6 ?
O17 Nb3 Nb2 79.58(11) 6 . ?
O17 Nb3 Nb3 81.61(12) 6 6 ?
O17 Nb3 O9 76.54(11) 6 . ?
O17 Nb3 O11 85.50(16) 6 . ?
Nb5 Nb4 Nb5 60.76(2) 2_655 . ?
Mn1 Nb4 Nb5 113.83(2) . 2_655 ?
Mn1 Nb4 Nb5 113.35(2) . . ?
O7 Nb4 Nb5 122.07(11) . 2_655 ?
O7 Nb4 Nb5 84.01(11) . . ?
O7 Nb4 Nb5 121.74(11) 2_655 . ?
O7 Nb4 Nb5 84.45(11) 2_655 2_655 ?
O7 Nb4 Mn1 39.37(12) 2_655 . ?
O7 Nb4 Mn1 39.37(12) . . ?
O7 Nb4 O7 76.9(2) . 2_655 ?
O7 Nb4 O10 75.98(15) . . ?
O7 Nb4 O10 75.98(15) 2_655 . ?
O10 Nb4 Nb5 46.23(9) . 2_655 ?
O10 Nb4 Nb5 45.94(9) . . ?
O10 Nb4 Mn1 81.16(13) . . ?
O18 Nb4 Nb5 84.87(13) . . ?
O18 Nb4 Nb5 33.51(13) . 2_655 ?
O18 Nb4 Mn1 128.42(14) . . ?
O18 Nb4 O7 89.44(18) . 2_655 ?
O18 Nb4 O7 154.24(18) . . ?
O18 Nb4 O10 79.58(16) . . ?
O18 Nb4 O19 94.3(2) . . ?
O19 Nb4 Nb5 84.54(14) . 2_655 ?
O19 Nb4 Nb5 33.46(13) . . ?
O19 Nb4 Mn1 128.01(15) . . ?
O19 Nb4 O7 153.82(18) . 2_655 ?
O19 Nb4 O7 89.06(19) . . ?
O19 Nb4 O10 79.25(16) . . ?
O21 Nb4 Nb5 138.19(18) . 2_655 ?
O21 Nb4 Nb5 138.78(17) . . ?
O21 Nb4 Mn1 92.14(16) . . ?
O21 Nb4 O7 99.0(2) . . ?
O21 Nb4 O7 98.7(2) . 2_655 ?
O21 Nb4 O10 173.3(2) . . ?
O21 Nb4 O18 104.7(2) . . ?
O21 Nb4 O19 105.3(2) . . ?
Nb4 Nb5 Nb4 63.44(2) 3_665 . ?
Nb4 Nb5 Nb5 59.873(16) 3_665 3_665 ?
Nb4 Nb5 Nb5 90.997(14) . 3_665 ?
Nb4 Nb5 Nb5 91.298(14) 3_665 2_655 ?
Nb4 Nb5 Nb5 59.364(17) . 2_655 ?
Nb5 Nb5 Nb5 60.0 3_665 2_655 ?
O10 Nb5 Nb4 45.89(9) . 3_665 ?
O10 Nb5 Nb4 45.60(9) . . ?
O10 Nb5 Nb5 45.43(9) . 2_655 ?
O10 Nb5 Nb5 45.43(9) . 3_665 ?
O15 Nb5 Nb4 123.12(12) 3_665 . ?
O15 Nb5 Nb4 123.55(12) . 3_665 ?
O15 Nb5 Nb4 79.17(12) 3_665 3_665 ?
O15 Nb5 Nb4 78.81(12) . . ?
O15 Nb5 Nb5 32.13(12) 3_665 3_665 ?
O15 Nb5 Nb5 81.89(13) . 3_665 ?
O15 Nb5 Nb5 32.26(12) . 2_655 ?
O15 Nb5 Nb5 81.79(12) 3_665 2_655 ?
O15 Nb5 O10 77.67(15) . . ?
O15 Nb5 O10 77.53(15) 3_665 . ?
O15 Nb5 O15 89.5(2) . 3_665 ?
O15 Nb5 O18 87.78(18) 3_665 3_665 ?
O15 Nb5 O18 154.85(17) . 3_665 ?
O15 Nb5 O19 154.62(17) 3_665 . ?
O15 Nb5 O19 87.03(19) . . ?
O18 Nb5 Nb4 81.78(12) 3_665 . ?
O18 Nb5 Nb4 31.60(13) 3_665 3_665 ?
O18 Nb5 Nb5 122.76(12) 3_665 2_655 ?
O18 Nb5 Nb5 82.61(14) 3_665 3_665 ?
O18 Nb5 O10 77.33(15) 3_665 . ?
O18 Nb5 O19 84.79(19) 3_665 . ?
O19 Nb5 Nb4 31.70(13) . . ?
O19 Nb5 Nb4 81.86(13) . 3_665 ?
O19 Nb5 Nb5 122.60(12) . 3_665 ?
O19 Nb5 Nb5 81.95(14) . 2_655 ?
O19 Nb5 O10 77.17(15) . . ?
O20 Nb5 Nb4 133.38(17) . . ?
O20 Nb5 Nb4 132.49(17) . 3_665 ?
O20 Nb5 Nb5 135.62(17) . 3_665 ?
O20 Nb5 Nb5 136.22(17) . 2_655 ?
O20 Nb5 O10 178.0(2) . . ?
O20 Nb5 O15 104.0(2) . . ?
O20 Nb5 O15 103.5(2) . 3_665 ?
O20 Nb5 O18 101.0(2) . 3_665 ?
O20 Nb5 O19 101.7(2) . . ?
Dy1 Mn1 Dy1 64.42(2) 2_655 3_665 ?
Dy1 Mn1 Dy1 64.42(2) . 3_665 ?
Dy1 Mn1 Dy1 64.42(2) 2_655 . ?
Nb4 Mn1 Dy1 114.527(12) 3_665 . ?
Nb4 Mn1 Dy1 111.910(12) 2_655 . ?
Nb4 Mn1 Dy1 176.33(3) . . ?
Nb4 Mn1 Dy1 114.526(12) 2_655 3_665 ?
Nb4 Mn1 Dy1 176.33(3) 3_665 3_665 ?
Nb4 Mn1 Dy1 111.912(12) 3_665 2_655 ?
Nb4 Mn1 Dy1 111.911(12) . 3_665 ?
Nb4 Mn1 Dy1 176.33(3) 2_655 2_655 ?
Nb4 Mn1 Dy1 114.529(12) . 2_655 ?
Nb4 Mn1 Nb4 69.14(3) 3_665 2_655 ?
Nb4 Mn1 Nb4 69.14(3) 3_665 . ?
Nb4 Mn1 Nb4 69.14(3) 2_655 . ?
O5 Mn1 Dy1 41.48(11) 2_655 2_655 ?
O5 Mn1 Dy1 44.01(11) 3_665 2_655 ?
O5 Mn1 Dy1 44.01(11) . 3_665 ?
O5 Mn1 Dy1 44.01(11) 2_655 . ?
O5 Mn1 Dy1 41.48(11) . . ?
O5 Mn1 Dy1 89.08(12) 3_665 . ?
O5 Mn1 Dy1 89.09(11) 2_655 3_665 ?
O5 Mn1 Dy1 41.48(11) 3_665 3_665 ?
O5 Mn1 Dy1 89.08(11) . 2_655 ?
O5 Mn1 Nb4 135.94(11) . . ?
O5 Mn1 Nb4 87.96(11) . 2_655 ?
O5 Mn1 Nb4 137.71(11) 2_655 . ?
O5 Mn1 Nb4 137.71(11) . 3_665 ?
O5 Mn1 Nb4 87.96(11) 2_655 3_665 ?
O5 Mn1 Nb4 135.94(11) 2_655 2_655 ?
O5 Mn1 Nb4 135.94(11) 3_665 3_665 ?
O5 Mn1 Nb4 137.71(11) 3_665 2_655 ?
O5 Mn1 Nb4 87.96(11) 3_665 . ?
O5 Mn1 O5 84.77(16) 2_655 3_665 ?
O5 Mn1 O5 84.77(16) 3_665 . ?
O5 Mn1 O5 84.77(16) 2_655 . ?
O7 Mn1 Dy1 140.10(12) 3_665 3_665 ?
O7 Mn1 Dy1 140.10(12) . . ?
O7 Mn1 Dy1 140.10(12) 2_655 2_655 ?
O7 Mn1 Dy1 92.16(12) 2_655 3_665 ?
O7 Mn1 Dy1 135.90(12) . 3_665 ?
O7 Mn1 Dy1 92.16(12) 3_665 . ?
O7 Mn1 Dy1 135.90(12) 2_655 . ?
O7 Mn1 Dy1 135.90(12) 3_665 2_655 ?
O7 Mn1 Dy1 92.16(12) . 2_655 ?
O7 Mn1 Nb4 42.50(12) . . ?
O7 Mn1 Nb4 90.83(12) 2_655 3_665 ?
O7 Mn1 Nb4 42.50(12) 2_655 2_655 ?
O7 Mn1 Nb4 90.83(12) 3_665 . ?
O7 Mn1 Nb4 90.83(12) . 2_655 ?
O7 Mn1 Nb4 42.51(12) 2_655 . ?
O7 Mn1 Nb4 42.51(12) 3_665 2_655 ?
O7 Mn1 Nb4 42.51(12) . 3_665 ?
O7 Mn1 Nb4 42.50(12) 3_665 3_665 ?
O7 Mn1 O5 95.41(15) 2_655 . ?
O7 Mn1 O5 178.39(17) 2_655 2_655 ?
O7 Mn1 O5 96.84(16) 2_655 3_665 ?
O7 Mn1 O5 95.41(16) . 3_665 ?
O7 Mn1 O5 96.84(16) 3_665 . ?
O7 Mn1 O5 96.84(16) . 2_655 ?
O7 Mn1 O5 178.39(17) . . ?
O7 Mn1 O5 95.41(16) 3_665 2_655 ?
O7 Mn1 O5 178.39(17) 3_665 3_665 ?
O7 Mn1 O7 82.97(18) . 3_665 ?
O7 Mn1 O7 82.97(18) 3_665 2_655 ?
O7 Mn1 O7 82.97(18) . 2_655 ?
Na2 Na1 Na2 121.41(16) . 2_545 ?
O1W Na1 Na2 142.51(16) 5_655 . ?
O1W Na1 Na2 142.51(16) . 2_545 ?
O1W Na1 Na2 42.03(11) . . ?
O1W Na1 Na2 42.03(11) 5_655 2_545 ?
O1W Na1 O1W 174.1(3) . 5_655 ?
O1W Na1 O3W 87.65(18) 5_655 5_655 ?
O1W Na1 O3W 88.89(18) 5_655 . ?
O1W Na1 O3W 87.65(18) . . ?
O1W Na1 O3W 88.89(18) . 5_655 ?
O1W Na1 O6W 99.53(19) 5_655 5_655 ?
O1W Na1 O6W 85.13(18) . 5_655 ?
O1W Na1 O6W 99.53(19) . . ?
O1W Na1 O6W 85.13(18) 5_655 . ?
O3W Na1 Na2 87.69(16) . 2_545 ?
O3W Na1 Na2 127.65(14) 5_655 2_545 ?
O3W Na1 Na2 127.65(14) . . ?
O3W Na1 Na2 87.69(16) 5_655 . ?
O3W Na1 O3W 108.7(4) . 5_655 ?
O3W Na1 O6W 87.4(2) 5_655 5_655 ?
O3W Na1 O6W 162.2(2) . 5_655 ?
O3W Na1 O6W 87.4(2) . . ?
O3W Na1 O6W 162.2(2) 5_655 . ?
O6W Na1 Na2 88.20(19) 5_655 2_545 ?
O6W Na1 Na2 43.10(14) 5_655 . ?
O6W Na1 Na2 43.10(14) . 2_545 ?
O6W Na1 Na2 88.20(19) . . ?
O6W Na1 O6W 77.8(3) . 5_655 ?
Na1 Na2 Na1 118.59(16) . 3_655 ?
O1W Na2 Na1 140.60(15) 6_545 . ?
O1W Na2 Na1 140.60(15) . 3_655 ?
O1W Na2 Na1 41.69(11) 6_545 3_655 ?
O1W Na2 Na1 41.69(11) . . ?
O1W Na2 O1W 177.1(3) . 6_545 ?
O1W Na2 O6W 84.88(18) 6_545 3_655 ?
O1W Na2 O6W 97.43(19) . 3_655 ?
O1W Na2 O6W 84.89(18) . 5_655 ?
O1W Na2 O6W 97.43(19) 6_545 5_655 ?
O2W Na2 Na1 97.28(15) 6_545 . ?
O2W Na2 Na1 127.71(14) 6_545 3_655 ?
O2W Na2 Na1 127.71(14) . . ?
O2W Na2 Na1 97.28(15) . 3_655 ?
O2W Na2 O1W 91.56(18) . 6_545 ?
O2W Na2 O1W 86.32(18) 6_545 6_545 ?
O2W Na2 O1W 86.32(18) . . ?
O2W Na2 O1W 91.56(18) 6_545 . ?
O2W Na2 O2W 87.4(4) 6_545 . ?
O2W Na2 O6W 169.2(2) . 5_655 ?
O2W Na2 O6W 99.0(2) 6_545 5_655 ?
O2W Na2 O6W 99.0(2) . 3_655 ?
O2W Na2 O6W 169.2(2) 6_545 3_655 ?
O6W Na2 Na1 43.19(15) 5_655 . ?
O6W Na2 Na1 43.19(15) 3_655 3_655 ?
O6W Na2 Na1 85.67(19) 3_655 . ?
O6W Na2 Na1 85.67(19) 5_655 3_655 ?
O6W Na2 O6W 76.0(3) 5_655 3_655 ?
Dy1 O1 Dy1 146.7(2) . 6 ?
Nb2 O1 Dy1 99.38(3) . 6 ?
Nb2 O1 Dy1 98.79(3) . . ?
Nb2 O1 Dy1 98.79(3) 6 6 ?
Nb2 O1 Dy1 99.38(3) 6 . ?
Nb2 O1 Nb2 113.0(2) 6 . ?
Dy1 O2 Dy1 109.41(14) 2_655 . ?
Dy1 O2 Dy1 109.41(14) 2_655 3_665 ?
Dy1 O2 Dy1 109.40(14) . 3_665 ?
Nb2 O3 Dy1 138.24(19) . 3_665 ?
Nb1 O4 Dy1 103.27(14) 6 6 ?
Nb2 O4 Dy1 102.40(14) . 6 ?
Nb2 O4 Nb1 112.36(16) . 6 ?
Dy1 O5 Dy1 99.63(13) . 3_665 ?
Mn1 O5 Dy1 104.88(16) . . ?
Mn1 O5 Dy1 101.87(15) . 3_665 ?
Nb4 O7 Nb4 112.46(18) . 3_665 ?
Mn1 O7 Nb4 98.12(18) . 3_665 ?
Mn1 O7 Nb4 98.13(19) . . ?
Nb1 O8 Dy1 104.07(15) . . ?
Nb2 O8 Dy1 101.98(15) . . ?
Nb2 O8 Nb1 113.86(18) . . ?
Nb1 O9 Nb1 175.6(2) . 6 ?
Nb1 O9 Nb3 88.53(9) . 6 ?
Nb1 O9 Nb3 88.34(9) 6 6 ?
Nb1 O9 Nb3 88.53(9) 6 . ?
Nb1 O9 Nb3 88.34(9) . . ?
Nb2 O9 Nb1 91.37(8) . . ?
Nb2 O9 Nb1 91.59(8) 6 . ?
Nb2 O9 Nb1 91.37(8) 6 6 ?
Nb2 O9 Nb1 91.59(8) . 6 ?
Nb2 O9 Nb2 94.73(17) 6 . ?
Nb2 O9 Nb3 176.93(17) 6 . ?
Nb2 O9 Nb3 176.93(16) . 6 ?
Nb2 O9 Nb3 88.346(18) . . ?
Nb2 O9 Nb3 88.347(18) 6 6 ?
Nb3 O9 Nb3 88.58(16) 6 . ?
Nb4 O10 Nb4 94.40(18) 3_665 2_655 ?
Nb4 O10 Nb4 94.40(18) 3_665 . ?
Nb4 O10 Nb4 94.40(18) . 2_655 ?
Nb4 O10 Nb5 87.88(2) 3_665 . ?
Nb4 O10 Nb5 176.2(3) . 3_665 ?
Nb4 O10 Nb5 87.88(2) . 2_655 ?
Nb4 O10 Nb5 88.46(2) . . ?
Nb4 O10 Nb5 176.2(3) 3_665 2_655 ?
Nb4 O10 Nb5 176.2(3) 2_655 . ?
Nb4 O10 Nb5 88.46(2) 2_655 2_655 ?
Nb4 O10 Nb5 88.46(2) 3_665 3_665 ?
Nb4 O10 Nb5 87.88(2) 2_655 3_665 ?
Nb5 O10 Nb5 89.13(18) 3_665 2_655 ?
Nb5 O10 Nb5 89.13(18) . 3_665 ?
Nb5 O10 Nb5 89.13(18) . 2_655 ?
Nb2 O11 Nb3 113.70(19) . . ?
Nb3 O13 Nb3 117.2(3) 6 . ?
Nb1 O14 Nb3 115.4(2) . . ?
Nb5 O15 Nb5 115.6(2) . 2_655 ?
Nb1 O17 Nb3 116.19(19) . 6 ?
Nb4 O18 Nb5 114.9(2) . 2_655 ?
Nb4 O19 Nb5 114.8(2) . . ?
Na1 O1W Na2 96.28(19) . . ?
Na2 O6W Na1 93.7(2) 2_545 . ?

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.005 -0.003 0.000 1593.9 121.0
2 0.000 0.000 0.250 12.3 16.4
3 -0.002 0.728 0.500 1594.1 120.5
4 0.000 0.000 0.750 12.3 16.1
_platon_squeeze_details          
; ?
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2088430'
loop_
_audit_author_name
_audit_author_address
'Yudiao Lin' 'Fuzhou University'
_audit_update_record             
;
2021-06-07 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
_audit_creation_date             2021-06-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Dy6 Fe2 Nb30 O109, 0.5(Na12 O48), 6(O)'
_chemical_formula_sum            'Dy6 Fe2 Na6 Nb30 O151'
_chemical_formula_weight         6427.94
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   18.9931(3)
_cell_length_b                   18.9931(3)
_cell_length_c                   29.0291(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9068.9(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    175
_cell_measurement_theta_max      25.016
_cell_measurement_theta_min      2.477
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.518
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_correction_T_min  0.1791
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0759 before and 0.0583 after correction.
The Ratio of minimum to maximum transmission is 0.6926.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            buff
_exptl_crystal_density_diffrn    2.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             5904
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            69704
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.032
_diffrn_reflns_theta_min         2.145
_diffrn_ambient_temperature      175
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4519
_reflns_number_total             5366
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.900
_refine_diff_density_min         -1.188
_refine_diff_density_rms         0.263
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         5366
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0361
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0675P)²+24.5533P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1128
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O2W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.005
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.78046(2) 0.44386(2) 0.32087(2) 0.02048(12) Uani 1 1 d . . . . .
Nb1 Nb 0.88846(4) 0.65773(4) 0.32180(2) 0.02527(17) Uani 1 1 d . . . . .
Nb2 Nb 0.69827(4) 0.55574(3) 0.27846(2) 0.02054(16) Uani 1 1 d . . . . .
Nb3 Nb 0.76601(4) 0.32189(4) 0.49554(2) 0.03124(19) Uani 1 1 d . . . . .
Nb4 Nb 0.80087(4) 0.75676(4) 0.27773(2) 0.02992(18) Uani 1 1 d . . . . .
Nb5 Nb 0.65663(4) 0.22669(4) 0.58749(2) 0.03426(19) Uani 1 1 d . . . . .
Fe1 Fe 0.6667 0.3333 0.41498(6) 0.0255(4) Uani 1 3 d S T P . .
Na1 Na 0.44067(16) 0.55933(16) 0.2500 0.0535(13) Uani 1 2 d S T P . .
O1 O 0.74284(18) 0.4857(4) 0.2500 0.0209(13) Uani 1 2 d S T P . .
Na2 Na 0.5517(3) 0.77585(16) 0.2500 0.0551(13) Uani 1 2 d S T P . .
O2 O 0.6054(3) 0.4712(3) 0.29903(15) 0.0233(10) Uani 1 1 d . . . . .
O3 O 0.6667 0.3333 0.2946(2) 0.0208(17) Uani 1 3 d S T P . .
O4 O 0.6724(3) 0.5642(3) 0.21235(16) 0.0228(10) Uani 1 1 d . . . . .
O5 O 0.6980(3) 0.6519(3) 0.29578(16) 0.0272(11) Uani 1 1 d . . . . .
O6 O 0.7463(3) 0.3278(3) 0.37188(15) 0.0248(10) Uani 1 1 d . . . . .
O7 O 0.5916(3) 0.3424(3) 0.45973(15) 0.0287(11) Uani 1 1 d . . . . .
O8 O 0.82615(18) 0.6523(4) 0.2500 0.0253(15) Uani 1 2 d S T P . .
O9 O 0.8605(3) 0.4936(3) 0.39096(16) 0.0318(11) Uani 1 1 d . . . . .
O10 O 0.7716(3) 0.5654(3) 0.32994(15) 0.0236(10) Uani 1 1 d . . . . .
O11 O 0.9315(3) 0.6556(3) 0.37589(17) 0.0332(12) Uani 1 1 d . . . . .
O12 O 0.9808(3) 0.7344(3) 0.28571(17) 0.0330(12) Uani 1 1 d . . . . .
O13 O 0.9097(2) 0.8194(4) 0.2500 0.0337(16) Uani 1 2 d S T P . .
O14 O 0.8525(3) 0.7363(3) 0.33225(18) 0.0338(12) Uani 1 1 d . . . . .
O15 O 0.6667 0.3333 0.5395(3) 0.0287(19) Uani 1 3 d S T P . .
O16 O 0.7783(3) 0.8305(3) 0.2996(2) 0.0449(14) Uani 1 1 d . . . . .
O17 O 0.8336(3) 0.4051(3) 0.53928(17) 0.0391(13) Uani 1 1 d . . . . .
O18 O 0.7359(3) 0.2357(3) 0.53878(16) 0.0383(13) Uani 1 1 d . . . . .
O19 O 0.5771(3) 0.2524(3) 0.61637(17) 0.0380(13) Uani 1 1 d . . . . .
O20 O 0.8347(4) 0.3132(4) 0.45818(19) 0.0535(16) Uani 1 1 d . . . . .
O21 O 0.6493(4) 0.1463(4) 0.62116(18) 0.0530(16) Uani 1 1 d . . . . .
O1W O 0.5551(3) 0.6657(3) 0.28908(17) 0.0296(11) Uani 1 1 d . . . . .
O2W O 0.5455(3) 0.5295(3) 0.38020(19) 0.0370(13) Uani 1 1 d . U . . .
O3W O 0.5663(4) 0.2360(5) 0.7096(2) 0.063(2) Uani 1 1 d . . . . .
O4W O 0.6514(4) 0.7900(4) 0.1996(3) 0.084(3) Uani 1 1 d . . . . .
O7W O 0.4336(5) 0.4673(4) 0.3087(3) 0.083(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Nb1 3.5179(7) . ?
Dy1 Nb2 3.4440(6) 5_655 ?
Dy1 Nb2 3.4329(6) . ?
Dy1 Fe1 3.4647(13) . ?
Dy1 O1 2.4374(17) . ?
Dy1 O2 2.328(4) 3_665 ?
Dy1 O3 2.263(2) . ?
Dy1 O4 2.406(4) 5_655 ?
Dy1 O6 2.379(4) 2_655 ?
Dy1 O6 2.459(4) . ?
Dy1 O9 2.431(5) . ?
Dy1 O10 2.411(4) . ?
Nb1 Nb4 3.3343(9) 5_655 ?
Nb1 Nb4 3.3275(9) . ?
Nb1 O4 2.063(4) 5_655 ?
Nb1 O8 2.3736(7) . ?
Nb1 O10 2.040(4) . ?
Nb1 O11 1.780(5) . ?
Nb1 O12 1.934(5) . ?
Nb1 O14 1.951(5) . ?
Nb2 Dy1 3.4440(6) 5_655 ?
Nb2 Nb4 3.3068(8) . ?
Nb2 O1 2.073(3) . ?
Nb2 O2 1.793(4) . ?
Nb2 O4 2.007(5) . ?
Nb2 O5 1.896(4) . ?
Nb2 O8 2.343(4) . ?
Nb2 O10 1.988(4) . ?
Nb3 Nb5 3.3095(10) . ?
Nb3 Nb5 3.3273(9) 2_655 ?
Nb3 Fe1 3.0801(14) . ?
Nb3 O7 2.084(5) 3_665 ?
Nb3 O7 2.093(5) 2_655 ?
Nb3 O15 2.376(4) . ?
Nb3 O17 1.931(5) . ?
Nb3 O18 1.909(5) . ?
Nb3 O20 1.766(6) . ?
Nb4 Nb1 3.3343(9) 5_655 ?
Nb4 Nb4 3.3558(13) 5_655 ?
Nb4 O5 2.041(5) . ?
Nb4 O8 2.402(4) . ?
Nb4 O12 1.999(5) 5_655 ?
Nb4 O13 1.969(4) . ?
Nb4 O14 2.000(5) . ?
Nb4 O16 1.773(5) . ?
Nb5 Nb3 3.3273(9) 3_665 ?
Nb5 Nb5 3.3552(12) 3_665 ?
Nb5 Nb5 3.3552(12) 2_655 ?
Nb5 O15 2.386(4) . ?
Nb5 O17 2.009(5) 3_665 ?
Nb5 O18 2.009(5) . ?
Nb5 O19 1.984(6) 2_655 ?
Nb5 O19 1.991(5) . ?
Nb5 O21 1.759(6) . ?
Fe1 Dy1 3.4647(13) 3_665 ?
Fe1 Dy1 3.4648(13) 2_655 ?
Fe1 Nb3 3.0801(14) 3_665 ?
Fe1 Nb3 3.0801(14) 2_655 ?
Fe1 O6 2.006(5) . ?
Fe1 O6 2.006(5) 2_655 ?
Fe1 O6 2.006(5) 3_665 ?
Fe1 O7 1.999(5) . ?
Fe1 O7 1.999(5) 2_655 ?
Fe1 O7 1.999(5) 3_665 ?
Na1 Na2 3.562(4) 3_565 ?
Na1 Na2 3.562(4) . ?
Na1 O1W 2.388(5) 4_665 ?
Na1 O1W 2.388(5) . ?
Na1 O3W 2.462(8) 9_556 ?
Na1 O3W 2.462(8) 12_665 ?
Na1 O7W 2.398(9) . ?
Na1 O7W 2.398(9) 4_665 ?
O1 Dy1 2.4374(17) 5_655 ?
O1 Nb2 2.073(3) 5_655 ?
Na2 Na1 3.562(4) 2_665 ?
Na2 O1W 2.410(5) . ?
Na2 O1W 2.410(5) 6_565 ?
Na2 O3W 2.437(8) 7_666 ?
Na2 O3W 2.437(8) 12_665 ?
Na2 O4W 2.299(9) 6_565 ?
Na2 O4W 2.300(9) . ?
O2 Dy1 2.328(4) 2_655 ?
O3 Dy1 2.263(2) 2_655 ?
O3 Dy1 2.263(2) 3_665 ?
O4 Dy1 2.406(4) 5_655 ?
O4 Nb1 2.063(4) 5_655 ?
O6 Dy1 2.379(4) 3_665 ?
O7 Nb3 2.093(5) 3_665 ?
O7 Nb3 2.084(5) 2_655 ?
O8 Nb1 2.3736(7) 5_655 ?
O8 Nb2 2.343(4) 5_655 ?
O8 Nb4 2.402(4) 5_655 ?
O12 Nb4 1.999(5) 5_655 ?
O13 Nb4 1.969(4) 5_655 ?
O15 Nb3 2.376(4) 2_655 ?
O15 Nb3 2.376(4) 3_665 ?
O15 Nb5 2.386(4) 3_665 ?
O15 Nb5 2.386(4) 2_655 ?
O17 Nb5 2.009(5) 2_655 ?
O19 Nb5 1.984(6) 3_665 ?
O3W Na1 2.462(8) 8_556 ?
O3W Na2 2.437(8) 7_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Nb2 Dy1 Nb1 58.071(15) . . ?
Nb2 Dy1 Nb1 58.094(15) 5_655 . ?
Nb2 Dy1 Nb2 60.142(19) . 5_655 ?
Nb2 Dy1 Fe1 167.912(16) 5_655 . ?
Nb2 Dy1 Fe1 108.592(13) . . ?
Fe1 Dy1 Nb1 121.364(19) . . ?
O1 Dy1 Nb1 74.16(13) . . ?
O1 Dy1 Nb2 36.44(7) . 5_655 ?
O1 Dy1 Nb2 36.63(7) . . ?
O1 Dy1 Fe1 131.85(6) . . ?
O1 Dy1 O6 144.26(17) . . ?
O2 Dy1 Nb1 110.17(11) 3_665 . ?
O2 Dy1 Nb2 140.75(11) 3_665 . ?
O2 Dy1 Nb2 81.58(11) 3_665 5_655 ?
O2 Dy1 Fe1 108.66(11) 3_665 . ?
O2 Dy1 O1 106.11(11) 3_665 . ?
O2 Dy1 O4 79.34(15) 3_665 5_655 ?
O2 Dy1 O6 74.22(15) 3_665 . ?
O2 Dy1 O6 142.47(16) 3_665 2_655 ?
O2 Dy1 O9 87.63(16) 3_665 . ?
O2 Dy1 O10 144.10(15) 3_665 . ?
O3 Dy1 Nb1 143.98(8) . . ?
O3 Dy1 Nb2 86.25(6) . . ?
O3 Dy1 Nb2 101.81(17) . 5_655 ?
O3 Dy1 Fe1 71.71(17) . . ?
O3 Dy1 O1 73.66(19) . . ?
O3 Dy1 O2 93.98(12) . 3_665 ?
O3 Dy1 O4 136.4(2) . 5_655 ?
O3 Dy1 O6 70.70(17) . . ?
O3 Dy1 O6 72.18(17) . 2_655 ?
O3 Dy1 O9 139.8(2) . . ?
O3 Dy1 O10 115.70(11) . . ?
O4 Dy1 Nb1 34.74(10) 5_655 . ?
O4 Dy1 Nb2 34.72(11) 5_655 5_655 ?
O4 Dy1 Nb2 73.96(10) 5_655 . ?
O4 Dy1 Fe1 151.29(11) 5_655 . ?
O4 Dy1 O1 67.28(15) 5_655 . ?
O4 Dy1 O6 143.67(15) 5_655 . ?
O4 Dy1 O9 83.37(16) 5_655 . ?
O4 Dy1 O10 65.35(15) 5_655 . ?
O6 Dy1 Nb1 100.05(11) 2_655 . ?
O6 Dy1 Nb1 140.43(11) . . ?
O6 Dy1 Nb2 153.87(11) . 5_655 ?
O6 Dy1 Nb2 140.66(11) . . ?
O6 Dy1 Nb2 74.57(12) 2_655 . ?
O6 Dy1 Nb2 134.68(12) 2_655 5_655 ?
O6 Dy1 Fe1 34.18(12) 2_655 . ?
O6 Dy1 Fe1 34.60(11) . . ?
O6 Dy1 O1 103.10(11) 2_655 . ?
O6 Dy1 O4 134.52(15) 2_655 5_655 ?
O6 Dy1 O6 68.3(2) 2_655 . ?
O6 Dy1 O9 82.34(16) 2_655 . ?
O6 Dy1 O10 70.05(16) 2_655 . ?
O9 Dy1 Nb1 69.77(12) . . ?
O9 Dy1 Nb2 118.09(12) . 5_655 ?
O9 Dy1 Nb2 116.68(12) . . ?
O9 Dy1 Fe1 69.81(12) . . ?
O9 Dy1 O1 143.91(18) . . ?
O9 Dy1 O6 71.20(15) . . ?
O10 Dy1 Nb1 34.23(11) . . ?
O10 Dy1 Nb2 34.49(10) . . ?
O10 Dy1 Nb2 73.27(11) . 5_655 ?
O10 Dy1 Fe1 99.96(11) . . ?
O10 Dy1 O1 66.94(15) . . ?
O10 Dy1 O6 132.80(15) . . ?
O10 Dy1 O9 82.27(16) . . ?
Nb4 Nb1 Dy1 118.82(2) . . ?
Nb4 Nb1 Dy1 118.84(2) 5_655 . ?
Nb4 Nb1 Nb4 60.49(2) . 5_655 ?
O4 Nb1 Dy1 41.66(12) 5_655 . ?
O4 Nb1 Nb4 122.76(13) 5_655 . ?
O4 Nb1 Nb4 84.32(13) 5_655 5_655 ?
O4 Nb1 O8 76.68(16) 5_655 . ?
O8 Nb1 Dy1 87.30(14) . . ?
O8 Nb1 Nb4 46.17(10) . . ?
O8 Nb1 Nb4 46.06(10) . 5_655 ?
O10 Nb1 Dy1 41.65(12) . . ?
O10 Nb1 Nb4 122.08(12) . 5_655 ?
O10 Nb1 Nb4 83.93(13) . . ?
O10 Nb1 O4 78.66(17) . 5_655 ?
O10 Nb1 O8 76.12(16) . . ?
O11 Nb1 Dy1 89.40(16) . . ?
O11 Nb1 Nb4 135.82(16) . . ?
O11 Nb1 Nb4 136.57(17) . 5_655 ?
O11 Nb1 O4 101.1(2) . 5_655 ?
O11 Nb1 O8 176.7(2) . . ?
O11 Nb1 O10 101.1(2) . . ?
O11 Nb1 O12 104.0(2) . . ?
O11 Nb1 O14 102.8(2) . . ?
O12 Nb1 Dy1 130.63(14) . . ?
O12 Nb1 Nb4 83.52(15) . . ?
O12 Nb1 Nb4 32.62(14) . 5_655 ?
O12 Nb1 O4 88.97(19) . 5_655 ?
O12 Nb1 O8 78.55(18) . . ?
O12 Nb1 O10 153.75(19) . . ?
O12 Nb1 O14 92.3(2) . . ?
O14 Nb1 Dy1 131.26(15) . . ?
O14 Nb1 Nb4 83.44(16) . 5_655 ?
O14 Nb1 Nb4 33.07(15) . . ?
O14 Nb1 O4 155.05(19) . 5_655 ?
O14 Nb1 O8 79.16(18) . . ?
O14 Nb1 O10 89.62(19) . . ?
Dy1 Nb2 Dy1 85.698(16) . 5_655 ?
Nb4 Nb2 Dy1 121.83(2) . 5_655 ?
Nb4 Nb2 Dy1 121.95(2) . . ?
O1 Nb2 Dy1 44.31(3) . 5_655 ?
O1 Nb2 Dy1 44.56(3) . . ?
O1 Nb2 Nb4 123.00(14) . . ?
O1 Nb2 O8 76.45(18) . . ?
O2 Nb2 Dy1 85.79(14) . 5_655 ?
O2 Nb2 Dy1 82.77(14) . . ?
O2 Nb2 Nb4 141.66(14) . . ?
O2 Nb2 O1 95.3(2) . . ?
O2 Nb2 O4 102.69(19) . . ?
O2 Nb2 O5 107.4(2) . . ?
O2 Nb2 O8 171.50(18) . . ?
O2 Nb2 O10 99.35(19) . . ?
O4 Nb2 Dy1 43.06(12) . 5_655 ?
O4 Nb2 Dy1 126.67(13) . . ?
O4 Nb2 Nb4 85.88(12) . . ?
O4 Nb2 O1 82.22(13) . . ?
O4 Nb2 O8 78.43(12) . . ?
O5 Nb2 Dy1 136.20(14) . . ?
O5 Nb2 Dy1 136.37(14) . 5_655 ?
O5 Nb2 Nb4 34.26(15) . . ?
O5 Nb2 O1 157.3(2) . . ?
O5 Nb2 O4 93.34(19) . . ?
O5 Nb2 O8 80.81(18) . . ?
O5 Nb2 O10 92.92(19) . . ?
O8 Nb2 Dy1 89.81(8) . . ?
O8 Nb2 Dy1 89.54(8) . 5_655 ?
O8 Nb2 Nb4 46.55(11) . . ?
O10 Nb2 Dy1 126.57(13) . 5_655 ?
O10 Nb2 Dy1 43.35(12) . . ?
O10 Nb2 Nb4 85.25(12) . . ?
O10 Nb2 O1 82.32(13) . . ?
O10 Nb2 O4 154.07(18) . . ?
O10 Nb2 O8 77.79(13) . . ?
Nb5 Nb3 Nb5 60.73(3) . 2_655 ?
Fe1 Nb3 Nb5 114.30(3) . . ?
Fe1 Nb3 Nb5 113.80(3) . 2_655 ?
O7 Nb3 Nb5 122.45(13) 3_665 . ?
O7 Nb3 Nb5 83.86(12) 3_665 2_655 ?
O7 Nb3 Nb5 84.18(13) 2_655 . ?
O7 Nb3 Nb5 121.94(13) 2_655 2_655 ?
O7 Nb3 Fe1 40.00(13) 3_665 . ?
O7 Nb3 Fe1 40.04(13) 2_655 . ?
O7 Nb3 O7 78.1(3) 3_665 2_655 ?
O7 Nb3 O15 76.46(17) 3_665 . ?
O7 Nb3 O15 76.28(18) 2_655 . ?
O15 Nb3 Nb5 46.10(11) . . ?
O15 Nb3 Nb5 45.81(11) . 2_655 ?
O15 Nb3 Fe1 81.87(16) . . ?
O17 Nb3 Nb5 33.09(15) . 2_655 ?
O17 Nb3 Nb5 84.00(16) . . ?
O17 Nb3 Fe1 128.44(17) . . ?
O17 Nb3 O7 154.0(2) . 2_655 ?
O17 Nb3 O7 88.9(2) . 3_665 ?
O17 Nb3 O15 78.79(19) . . ?
O18 Nb3 Nb5 33.32(15) . . ?
O18 Nb3 Nb5 84.48(15) . 2_655 ?
O18 Nb3 Fe1 128.91(17) . . ?
O18 Nb3 O7 154.7(2) . 3_665 ?
O18 Nb3 O7 89.2(2) . 2_655 ?
O18 Nb3 O15 79.30(19) . . ?
O18 Nb3 O17 93.5(2) . . ?
O20 Nb3 Nb5 137.4(2) . . ?
O20 Nb3 Nb5 138.2(2) . 2_655 ?
O20 Nb3 Fe1 92.70(19) . . ?
O20 Nb3 O7 99.6(2) . 3_665 ?
O20 Nb3 O7 99.3(2) . 2_655 ?
O20 Nb3 O15 174.6(2) . . ?
O20 Nb3 O17 105.1(3) . . ?
O20 Nb3 O18 104.0(3) . . ?
Nb1 Nb4 Nb1 90.81(2) . 5_655 ?
Nb1 Nb4 Nb4 59.85(2) . 5_655 ?
Nb1 Nb4 Nb4 59.65(2) 5_655 5_655 ?
Nb2 Nb4 Nb1 61.144(18) . . ?
Nb2 Nb4 Nb1 61.204(18) . 5_655 ?
Nb2 Nb4 Nb4 90.781(15) . 5_655 ?
O5 Nb4 Nb1 81.81(13) . 5_655 ?
O5 Nb4 Nb1 81.64(13) . . ?
O5 Nb4 Nb2 31.54(13) . . ?
O5 Nb4 Nb4 122.32(13) . 5_655 ?
O5 Nb4 O8 76.64(16) . . ?
O8 Nb4 Nb1 45.369(16) . 5_655 ?
O8 Nb4 Nb1 45.481(15) . . ?
O8 Nb4 Nb2 45.10(10) . . ?
O8 Nb4 Nb4 45.68(10) . 5_655 ?
O12 Nb4 Nb1 122.16(14) 5_655 . ?
O12 Nb4 Nb1 31.43(14) 5_655 5_655 ?
O12 Nb4 Nb2 79.51(14) 5_655 . ?
O12 Nb4 Nb4 81.86(14) 5_655 5_655 ?
O12 Nb4 O5 85.45(19) 5_655 . ?
O12 Nb4 O8 76.68(14) 5_655 . ?
O12 Nb4 O14 154.10(19) 5_655 . ?
O13 Nb4 Nb1 79.93(12) . 5_655 ?
O13 Nb4 Nb1 80.11(12) . . ?
O13 Nb4 Nb2 122.34(17) . . ?
O13 Nb4 Nb4 31.56(17) . 5_655 ?
O13 Nb4 O5 153.9(2) . . ?
O13 Nb4 O8 77.24(19) . . ?
O13 Nb4 O12 88.61(15) . 5_655 ?
O13 Nb4 O14 88.42(15) . . ?
O14 Nb4 Nb1 122.94(14) . 5_655 ?
O14 Nb4 Nb1 32.17(14) . . ?
O14 Nb4 Nb2 80.43(14) . . ?
O14 Nb4 Nb4 82.20(15) . 5_655 ?
O14 Nb4 O5 86.0(2) . . ?
O14 Nb4 O8 77.57(14) . . ?
O16 Nb4 Nb1 134.02(19) . . ?
O16 Nb4 Nb1 135.15(18) . 5_655 ?
O16 Nb4 Nb2 132.35(19) . . ?
O16 Nb4 Nb4 136.87(19) . 5_655 ?
O16 Nb4 O5 100.8(2) . . ?
O16 Nb4 O8 177.4(2) . . ?
O16 Nb4 O12 103.7(2) . 5_655 ?
O16 Nb4 O13 105.3(3) . . ?
O16 Nb4 O14 101.9(2) . . ?
Nb3 Nb5 Nb3 63.08(2) . 3_665 ?
Nb3 Nb5 Nb5 59.89(2) . 2_655 ?
Nb3 Nb5 Nb5 90.852(17) 3_665 2_655 ?
Nb3 Nb5 Nb5 91.161(17) . 3_665 ?
Nb3 Nb5 Nb5 59.37(2) 3_665 3_665 ?
Nb5 Nb5 Nb5 60.0 3_665 2_655 ?
O15 Nb5 Nb3 45.85(10) . . ?
O15 Nb5 Nb3 45.55(10) . 3_665 ?
O15 Nb5 Nb5 45.33(11) . 3_665 ?
O15 Nb5 Nb5 45.33(11) . 2_655 ?
O17 Nb5 Nb3 31.65(15) 3_665 3_665 ?
O17 Nb5 Nb3 81.73(15) 3_665 . ?
O17 Nb5 Nb5 122.43(15) 3_665 2_655 ?
O17 Nb5 Nb5 81.69(17) 3_665 3_665 ?
O17 Nb5 O15 77.10(18) 3_665 . ?
O17 Nb5 O18 85.1(2) 3_665 . ?
O18 Nb5 Nb3 81.60(14) . 3_665 ?
O18 Nb5 Nb3 31.46(14) . . ?
O18 Nb5 Nb5 122.51(14) . 3_665 ?
O18 Nb5 Nb5 82.32(16) . 2_655 ?
O18 Nb5 O15 77.19(18) . . ?
O19 Nb5 Nb3 79.28(15) 2_655 . ?
O19 Nb5 Nb3 123.32(15) 2_655 3_665 ?
O19 Nb5 Nb3 78.74(15) . 3_665 ?
O19 Nb5 Nb3 123.49(15) . . ?
O19 Nb5 Nb5 82.15(16) . 2_655 ?
O19 Nb5 Nb5 32.35(15) . 3_665 ?
O19 Nb5 Nb5 82.24(15) 2_655 3_665 ?
O19 Nb5 Nb5 32.48(15) 2_655 2_655 ?
O19 Nb5 O15 77.64(18) . . ?
O19 Nb5 O15 77.77(18) 2_655 . ?
O19 Nb5 O17 86.5(2) . 3_665 ?
O19 Nb5 O17 154.8(2) 2_655 3_665 ?
O19 Nb5 O18 154.7(2) . . ?
O19 Nb5 O18 87.3(2) 2_655 . ?
O19 Nb5 O19 90.2(3) 2_655 . ?
O21 Nb5 Nb3 133.2(2) . 3_665 ?
O21 Nb5 Nb3 132.7(2) . . ?
O21 Nb5 Nb5 136.1(2) . 3_665 ?
O21 Nb5 Nb5 136.0(2) . 2_655 ?
O21 Nb5 O15 178.0(2) . . ?
O21 Nb5 O17 101.6(3) . 3_665 ?
O21 Nb5 O18 101.3(3) . . ?
O21 Nb5 O19 103.8(3) . . ?
O21 Nb5 O19 103.5(3) . 2_655 ?
Dy1 Fe1 Dy1 64.37(3) 3_665 . ?
Dy1 Fe1 Dy1 64.37(3) 3_665 2_655 ?
Dy1 Fe1 Dy1 64.37(3) . 2_655 ?
Nb3 Fe1 Dy1 115.018(14) 3_665 3_665 ?
Nb3 Fe1 Dy1 115.017(14) . . ?
Nb3 Fe1 Dy1 112.034(14) 3_665 2_655 ?
Nb3 Fe1 Dy1 112.038(14) . 3_665 ?
Nb3 Fe1 Dy1 112.035(14) 2_655 . ?
Nb3 Fe1 Dy1 176.36(3) 2_655 3_665 ?
Nb3 Fe1 Dy1 176.36(3) . 2_655 ?
Nb3 Fe1 Dy1 176.36(3) 3_665 . ?
Nb3 Fe1 Dy1 115.014(14) 2_655 2_655 ?
Nb3 Fe1 Nb3 68.61(4) . 2_655 ?
Nb3 Fe1 Nb3 68.61(4) 3_665 . ?
Nb3 Fe1 Nb3 68.61(4) 3_665 2_655 ?
O6 Fe1 Dy1 44.09(13) . . ?
O6 Fe1 Dy1 44.09(13) 3_665 3_665 ?
O6 Fe1 Dy1 44.09(13) 2_655 2_655 ?
O6 Fe1 Dy1 89.36(14) 3_665 . ?
O6 Fe1 Dy1 41.78(13) 3_665 2_655 ?
O6 Fe1 Dy1 41.78(13) 2_655 . ?
O6 Fe1 Dy1 41.78(13) . 3_665 ?
O6 Fe1 Dy1 89.36(14) 2_655 3_665 ?
O6 Fe1 Dy1 89.36(14) . 2_655 ?
O6 Fe1 Nb3 88.00(13) . . ?
O6 Fe1 Nb3 135.39(13) 3_665 . ?
O6 Fe1 Nb3 138.03(13) 2_655 . ?
O6 Fe1 Nb3 88.00(13) 3_665 3_665 ?
O6 Fe1 Nb3 88.00(13) 2_655 2_655 ?
O6 Fe1 Nb3 135.39(13) . 2_655 ?
O6 Fe1 Nb3 138.02(13) 3_665 2_655 ?
O6 Fe1 Nb3 135.39(13) 2_655 3_665 ?
O6 Fe1 Nb3 138.03(13) . 3_665 ?
O6 Fe1 O6 85.2(2) . 3_665 ?
O6 Fe1 O6 85.2(2) 3_665 2_655 ?
O6 Fe1 O6 85.2(2) . 2_655 ?
O7 Fe1 Dy1 140.80(14) 3_665 2_655 ?
O7 Fe1 Dy1 92.65(13) 3_665 . ?
O7 Fe1 Dy1 135.74(13) 3_665 3_665 ?
O7 Fe1 Dy1 135.74(13) 2_655 2_655 ?
O7 Fe1 Dy1 135.74(13) . . ?
O7 Fe1 Dy1 92.65(13) . 2_655 ?
O7 Fe1 Dy1 140.80(14) 2_655 . ?
O7 Fe1 Dy1 140.80(14) . 3_665 ?
O7 Fe1 Dy1 92.65(13) 2_655 3_665 ?
O7 Fe1 Nb3 90.07(14) 2_655 2_655 ?
O7 Fe1 Nb3 42.07(14) 2_655 3_665 ?
O7 Fe1 Nb3 42.34(13) . 3_665 ?
O7 Fe1 Nb3 42.34(13) 3_665 2_655 ?
O7 Fe1 Nb3 42.34(13) 2_655 . ?
O7 Fe1 Nb3 42.07(14) . 2_655 ?
O7 Fe1 Nb3 90.06(14) . . ?
O7 Fe1 Nb3 42.07(14) 3_665 . ?
O7 Fe1 Nb3 90.06(14) 3_665 3_665 ?
O7 Fe1 O6 177.4(2) 3_665 3_665 ?
O7 Fe1 O6 95.05(18) 3_665 . ?
O7 Fe1 O6 95.05(18) 2_655 3_665 ?
O7 Fe1 O6 97.40(19) . 3_665 ?
O7 Fe1 O6 97.40(18) 3_665 2_655 ?
O7 Fe1 O6 177.4(2) 2_655 2_655 ?
O7 Fe1 O6 97.40(18) 2_655 . ?
O7 Fe1 O6 95.05(18) . 2_655 ?
O7 Fe1 O6 177.4(2) . . ?
O7 Fe1 O7 82.3(2) 2_655 . ?
O7 Fe1 O7 82.3(2) 3_665 . ?
O7 Fe1 O7 82.3(2) 2_655 3_665 ?
Na2 Na1 Na2 121.69(19) 3_565 . ?
O1W Na1 Na2 42.30(14) . . ?
O1W Na1 Na2 142.57(18) 4_665 . ?
O1W Na1 Na2 142.57(18) . 3_565 ?
O1W Na1 Na2 42.29(14) 4_665 3_565 ?
O1W Na1 O1W 173.6(3) 4_665 . ?
O1W Na1 O3W 99.7(2) . 9_556 ?
O1W Na1 O3W 85.4(2) . 12_665 ?
O1W Na1 O3W 99.7(2) 4_665 12_665 ?
O1W Na1 O3W 85.4(2) 4_665 9_556 ?
O1W Na1 O7W 87.7(2) 4_665 . ?
O1W Na1 O7W 87.7(2) . 4_665 ?
O1W Na1 O7W 88.5(2) . . ?
O1W Na1 O7W 88.5(2) 4_665 4_665 ?
O3W Na1 Na2 43.10(16) 12_665 . ?
O3W Na1 Na2 43.10(16) 9_556 3_565 ?
O3W Na1 Na2 88.1(2) 9_556 . ?
O3W Na1 Na2 88.1(2) 12_665 3_565 ?
O3W Na1 O3W 76.8(4) 12_665 9_556 ?
O7W Na1 Na2 86.6(2) 4_665 . ?
O7W Na1 Na2 86.6(2) . 3_565 ?
O7W Na1 Na2 128.83(16) 4_665 3_565 ?
O7W Na1 Na2 128.83(16) . . ?
O7W Na1 O3W 162.2(3) 4_665 9_556 ?
O7W Na1 O3W 87.8(3) . 9_556 ?
O7W Na1 O3W 162.2(3) . 12_665 ?
O7W Na1 O3W 87.8(3) 4_665 12_665 ?
O7W Na1 O7W 108.6(5) 4_665 . ?
Dy1 O1 Dy1 147.2(3) . 5_655 ?
Nb2 O1 Dy1 99.24(4) 5_655 . ?
Nb2 O1 Dy1 98.81(4) . . ?
Nb2 O1 Dy1 99.24(4) . 5_655 ?
Nb2 O1 Dy1 98.81(4) 5_655 5_655 ?
Nb2 O1 Nb2 112.4(3) 5_655 . ?
Na1 Na2 Na1 118.31(19) 2_665 . ?
O1W Na2 Na1 41.82(14) . . ?
O1W Na2 Na1 140.28(19) . 2_665 ?
O1W Na2 Na1 140.28(19) 6_565 . ?
O1W Na2 Na1 41.82(14) 6_565 2_665 ?
O1W Na2 O1W 177.3(3) 6_565 . ?
O1W Na2 O3W 96.7(2) 6_565 12_665 ?
O1W Na2 O3W 85.5(2) 6_565 7_666 ?
O1W Na2 O3W 85.5(2) . 12_665 ?
O1W Na2 O3W 96.7(2) . 7_666 ?
O3W Na2 Na1 43.64(17) 12_665 . ?
O3W Na2 Na1 84.7(2) 7_666 . ?
O3W Na2 Na1 84.7(2) 12_665 2_665 ?
O3W Na2 Na1 43.64(17) 7_666 2_665 ?
O3W Na2 O3W 74.5(4) 7_666 12_665 ?
O4W Na2 Na1 128.23(17) . 2_665 ?
O4W Na2 Na1 96.46(19) 6_565 2_665 ?
O4W Na2 Na1 128.24(17) 6_565 . ?
O4W Na2 Na1 96.46(19) . . ?
O4W Na2 O1W 86.8(2) . 6_565 ?
O4W Na2 O1W 91.3(2) . . ?
O4W Na2 O1W 86.8(2) 6_565 . ?
O4W Na2 O1W 91.3(2) 6_565 6_565 ?
O4W Na2 O3W 169.1(3) . 7_666 ?
O4W Na2 O3W 98.8(3) . 12_665 ?
O4W Na2 O3W 169.1(3) 6_565 12_665 ?
O4W Na2 O3W 98.8(3) 6_565 7_666 ?
O4W Na2 O4W 89.0(5) 6_565 . ?
Nb2 O2 Dy1 138.6(2) . 2_655 ?
Dy1 O3 Dy1 109.28(17) 3_665 . ?
Dy1 O3 Dy1 109.28(17) 3_665 2_655 ?
Dy1 O3 Dy1 109.28(17) . 2_655 ?
Nb1 O4 Dy1 103.59(18) 5_655 5_655 ?
Nb2 O4 Dy1 102.22(18) . 5_655 ?
Nb2 O4 Nb1 112.3(2) . 5_655 ?
Nb2 O5 Nb4 114.2(2) . . ?
Dy1 O6 Dy1 99.42(16) 3_665 . ?
Fe1 O6 Dy1 101.31(19) . . ?
Fe1 O6 Dy1 104.0(2) . 3_665 ?
Nb3 O7 Nb3 112.5(2) 2_655 3_665 ?
Fe1 O7 Nb3 97.6(2) . 3_665 ?
Fe1 O7 Nb3 97.9(2) . 2_655 ?
Nb1 O8 Nb1 175.7(3) 5_655 . ?
Nb1 O8 Nb4 88.57(11) 5_655 . ?
Nb1 O8 Nb4 88.34(11) 5_655 5_655 ?
Nb1 O8 Nb4 88.34(11) . . ?
Nb1 O8 Nb4 88.57(11) . 5_655 ?
Nb2 O8 Nb1 91.57(10) . 5_655 ?
Nb2 O8 Nb1 91.35(10) 5_655 5_655 ?
Nb2 O8 Nb1 91.35(10) . . ?
Nb2 O8 Nb1 91.57(10) 5_655 . ?
Nb2 O8 Nb2 94.7(2) 5_655 . ?
Nb2 O8 Nb4 177.0(2) 5_655 . ?
Nb2 O8 Nb4 177.0(2) . 5_655 ?
Nb2 O8 Nb4 88.35(2) . . ?
Nb2 O8 Nb4 88.35(2) 5_655 5_655 ?
Nb4 O8 Nb4 88.6(2) 5_655 . ?
Nb1 O10 Dy1 104.12(18) . . ?
Nb2 O10 Dy1 102.16(17) . . ?
Nb2 O10 Nb1 113.8(2) . . ?
Nb1 O12 Nb4 116.0(2) . 5_655 ?
Nb4 O13 Nb4 116.9(3) 5_655 . ?
Nb1 O14 Nb4 114.8(2) . . ?
Nb3 O15 Nb3 93.9(2) . 2_655 ?
Nb3 O15 Nb3 93.9(2) . 3_665 ?
Nb3 O15 Nb3 93.9(2) 3_665 2_655 ?
Nb3 O15 Nb5 88.64(3) 2_655 3_665 ?
Nb3 O15 Nb5 88.05(3) 2_655 2_655 ?
Nb3 O15 Nb5 88.05(3) 3_665 3_665 ?
Nb3 O15 Nb5 88.64(3) 3_665 . ?
Nb3 O15 Nb5 176.7(3) . 3_665 ?
Nb3 O15 Nb5 176.7(3) 2_655 . ?
Nb3 O15 Nb5 88.64(3) . 2_655 ?
Nb3 O15 Nb5 88.05(3) . . ?
Nb3 O15 Nb5 176.7(3) 3_665 2_655 ?
Nb5 O15 Nb5 89.3(2) . 3_665 ?
Nb5 O15 Nb5 89.3(2) . 2_655 ?
Nb5 O15 Nb5 89.3(2) 2_655 3_665 ?
Nb3 O17 Nb5 115.3(3) . 2_655 ?
Nb3 O18 Nb5 115.2(2) . . ?
Nb5 O19 Nb5 115.2(2) 3_665 . ?
Na1 O1W Na2 95.9(2) . . ?
Na2 O3W Na1 93.3(2) 7_666 8_556 ?

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.001 -0.001 -0.008 3320.4 71.8
_platon_squeeze_details          
; ?
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2088431'
loop_
_audit_author_name
_audit_author_address
'Yudiao Lin' 'Fuzhou University'
_audit_update_record             
;
2021-06-07 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;
_audit_creation_date             2021-06-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'Co2 Dy6 Nb30 O109, 0.5(Na12 O48), 8(O)'
_chemical_formula_sum            'Co2 Dy6 Na6 Nb30 O141'
_chemical_formula_weight         6274.10
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_space_group_name_H-M_alt        'P -3 1 c'
_space_group_name_Hall           '-P 3 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   19.0037(3)
_cell_length_b                   19.0037(3)
_cell_length_c                   28.6076(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8947.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    175
_cell_measurement_theta_max      25.035
_cell_measurement_theta_min      2.469
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.596
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_correction_T_min  0.0972
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1235 before and 0.0620 after correction.
The Ratio of minimum to maximum transmission is 0.3759.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    2.329
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             5748
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            76305
_diffrn_reflns_point_group_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.042
_diffrn_reflns_theta_min         2.468
_diffrn_ambient_temperature      175
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4655
_reflns_number_total             5194
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.550
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         5194
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0301P)²+66.5385P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0768
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O3W) \\sim Ueq, Uanis(O6W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.005
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.55667(2) 0.22002(2) 0.32178(2) 0.01712(8) Uani 1 1 d . . . . .
Nb1 Nb 0.67378(3) 0.23113(3) 0.49224(2) 0.02632(14) Uani 1 1 d . . . . .
Nb2 Nb 0.34328(3) 0.11102(3) 0.32237(2) 0.02557(14) Uani 1 1 d . . . . .
Nb3 Nb 0.44456(3) 0.30133(3) 0.27928(2) 0.01794(12) Uani 1 1 d . . . . .
Nb4 Nb 0.56810(3) 0.22876(3) 0.58534(2) 0.02673(14) Uani 1 1 d . . . . .
Nb5 Nb 0.24409(3) 0.19903(3) 0.27868(2) 0.03345(16) Uani 1 1 d . . . . .
Co1 Co 0.6667 0.3333 0.41435(5) 0.0209(3) Uani 1 3 d S T P . .
Na1 Na 0.22502(11) 0.4500(2) 0.2500 0.0397(9) Uani 1 2 d S T P . .
O1 O 0.5135(3) 0.25673(15) 0.2500 0.0182(11) Uani 1 2 d S T P . .
Na2 Na 0.44245(16) -0.1151(3) 0.2500 0.0633(13) Uani 1 2 d S T P . .
O2 O 0.5288(2) 0.3944(2) 0.30078(14) 0.0217(8) Uani 1 1 d . . . . .
O1W O 0.3345(2) 0.4448(2) 0.28886(15) 0.0273(9) Uani 1 1 d . . . . .
O3 O 0.6667 0.3333 0.2949(2) 0.0161(13) Uani 1 3 d S T P . .
O4 O 0.5851(2) 0.3286(2) 0.37331(13) 0.0210(8) Uani 1 1 d . . . . .
O2W O 0.0000 0.0000 0.3819(3) 0.0331(19) Uani 1 3 d S T P . .
O5 O 0.3480(2) 0.3016(2) 0.29716(16) 0.0297(10) Uani 1 1 d . . . . .
O6 O 0.3482(3) 0.17411(15) 0.2500 0.0248(13) Uani 1 2 d S T P . .
O7 O 0.7474(2) 0.3384(2) 0.45615(13) 0.0247(9) Uani 1 1 d . . . . .
O8 O 0.4364(2) 0.3284(2) 0.21250(15) 0.0219(9) Uani 1 1 d . . . . .
O9 O 0.5070(2) 0.1392(2) 0.39181(14) 0.0267(9) Uani 1 1 d . . . . .
O10 O 0.4344(2) 0.2277(2) 0.33096(15) 0.0238(9) Uani 1 1 d . . . . .
O11 O 0.7595(3) 0.2585(3) 0.53607(15) 0.0316(10) Uani 1 1 d . . . . .
O12 O 0.5882(3) 0.1655(2) 0.53614(14) 0.0295(10) Uani 1 1 d . . . . .
O13 O 0.2661(2) 0.0197(2) 0.28512(17) 0.0324(11) Uani 1 1 d . . . . .
O14 O 0.3446(3) 0.0666(3) 0.37720(16) 0.0347(11) Uani 1 1 d . . . . .
O3W O 0.6671(4) 0.2334(4) 0.7087(2) 0.0632(17) Uani 1 1 d . U . . .
O15 O 0.1811(3) 0.09054(17) 0.2500 0.0426(18) Uani 1 2 d S T P . .
O16 O 0.6715(3) 0.2510(3) 0.61477(14) 0.0294(9) Uani 1 1 d . . . . .
O17 O 0.6782(3) 0.1607(3) 0.45297(16) 0.0411(12) Uani 1 1 d . . . . .
O18 O 0.6667 0.3333 0.5376(2) 0.0265(16) Uani 1 3 d S T P . .
O19 O 0.2651(2) 0.1469(3) 0.33320(18) 0.0361(11) Uani 1 1 d . . . . .
O20 O 0.4933(3) 0.1500(3) 0.62000(16) 0.0388(11) Uani 1 1 d . . . . .
O21 O 0.1704(3) 0.2204(3) 0.3014(2) 0.0562(16) Uani 1 1 d . . . . .
O4W O 0.1388(3) 0.3464(3) 0.3019(2) 0.0527(15) Uani 1 1 d . . . . .
O5W O 0.4386(4) -0.0319(3) 0.3120(3) 0.078(2) Uani 1 1 d . . . . .
O6W O 0.0928(4) -0.0205(4) 0.3308(3) 0.079(2) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Nb2 3.5122(5) . ?
Dy1 Nb3 3.4523(6) 6 ?
Dy1 Nb3 3.4201(5) . ?
Dy1 Co1 3.3938(11) . ?
Dy1 O1 2.4394(14) . ?
Dy1 O2 2.321(4) 2_655 ?
Dy1 O3 2.258(2) . ?
Dy1 O4 2.368(4) . ?
Dy1 O4 2.428(4) 2_655 ?
Dy1 O8 2.420(4) 6 ?
Dy1 O9 2.411(4) . ?
Dy1 O10 2.415(4) . ?
Nb1 Nb4 3.3225(8) . ?
Nb1 Nb4 3.3083(8) 2_655 ?
Nb1 Co1 3.0030(11) . ?
Nb1 O7 2.085(4) 3_665 ?
Nb1 O7 2.080(4) . ?
Nb1 O11 1.911(4) . ?
Nb1 O12 1.936(4) . ?
Nb1 O17 1.781(5) . ?
Nb1 O18 2.395(4) . ?
Nb2 Nb5 3.3266(7) . ?
Nb2 Nb5 3.3342(9) 6 ?
Nb2 O6 2.3706(6) . ?
Nb2 O8 2.057(4) 6 ?
Nb2 O10 2.034(4) . ?
Nb2 O13 1.938(4) . ?
Nb2 O14 1.787(4) . ?
Nb2 O19 1.945(4) . ?
Nb3 Dy1 3.4522(6) 6 ?
Nb3 Nb5 3.2995(7) . ?
Nb3 O1 2.060(3) . ?
Nb3 O2 1.800(4) . ?
Nb3 O5 1.907(4) . ?
Nb3 O6 2.339(3) . ?
Nb3 O8 2.005(4) . ?
Nb3 O10 1.977(4) . ?
Nb4 Nb1 3.3082(8) 3_665 ?
Nb4 Nb4 3.3476(9) 3_665 ?
Nb4 Nb4 3.3476(9) 2_655 ?
Nb4 O11 2.014(4) 3_665 ?
Nb4 O12 2.008(4) . ?
Nb4 O16 1.984(4) 3_665 ?
Nb4 O16 1.979(4) . ?
Nb4 O18 2.367(4) . ?
Nb4 O20 1.765(5) . ?
Nb5 Nb2 3.3343(9) 6 ?
Nb5 Nb5 3.3547(12) 6 ?
Nb5 O5 2.032(4) . ?
Nb5 O6 2.398(4) . ?
Nb5 O13 1.985(5) 6 ?
Nb5 O15 1.972(3) . ?
Nb5 O19 1.992(5) . ?
Nb5 O21 1.766(5) . ?
Co1 Dy1 3.3939(10) 2_655 ?
Co1 Dy1 3.3938(10) 3_665 ?
Co1 Nb1 3.0030(11) 2_655 ?
Co1 Nb1 3.0030(11) 3_665 ?
Co1 O4 1.910(4) 2_655 ?
Co1 O4 1.910(4) 3_665 ?
Co1 O4 1.910(4) . ?
Co1 O7 1.909(4) 2_655 ?
Co1 O7 1.909(4) 3_665 ?
Co1 O7 1.909(4) . ?
Na1 Na2 3.578(3) 2 ?
Na1 Na2 3.578(3) 3_665 ?
Na1 O1W 2.404(4) . ?
Na1 O1W 2.404(4) 5 ?
Na1 O3W 2.439(6) 12_665 ?
Na1 O3W 2.439(6) 8_566 ?
Na1 O4W 2.354(6) 5 ?
Na1 O4W 2.354(6) . ?
O1 Dy1 2.4393(15) 6 ?
O1 Nb3 2.060(3) 6 ?
Na2 Na1 3.578(3) 3 ?
Na2 Na1 3.578(3) 2_655 ?
Na2 O1W 2.374(4) 2_655 ?
Na2 O1W 2.374(4) 6 ?
Na2 O3W 2.471(7) 7_656 ?
Na2 O3W 2.471(7) 11 ?
Na2 O5W 2.402(8) 5_655 ?
Na2 O5W 2.402(7) . ?
O2 Dy1 2.321(4) 3_665 ?
O1W Na2 2.375(4) 3_665 ?
O3 Dy1 2.258(2) 2_655 ?
O3 Dy1 2.258(2) 3_665 ?
O4 Dy1 2.428(4) 3_665 ?
O6 Nb2 2.3707(6) 6 ?
O6 Nb3 2.339(3) 6 ?
O6 Nb5 2.398(4) 6 ?
O7 Nb1 2.085(4) 2_655 ?
O8 Dy1 2.420(4) 6 ?
O8 Nb2 2.057(4) 6 ?
O11 Nb4 2.014(4) 2_655 ?
O13 Nb5 1.985(5) 6 ?
O3W Na1 2.439(6) 9_656 ?
O3W Na2 2.471(7) 7_656 ?
O15 Nb5 1.972(3) 6 ?
O16 Nb4 1.985(4) 2_655 ?
O18 Nb1 2.395(4) 3_665 ?
O18 Nb1 2.395(4) 2_655 ?
O18 Nb4 2.367(4) 2_655 ?
O18 Nb4 2.367(4) 3_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Nb3 Dy1 Nb2 57.868(13) 6 . ?
Nb3 Dy1 Nb2 58.117(12) . . ?
Nb3 Dy1 Nb3 60.071(15) . 6 ?
Co1 Dy1 Nb2 122.259(17) . . ?
Co1 Dy1 Nb3 108.420(11) . . ?
Co1 Dy1 Nb3 167.376(14) . 6 ?
O1 Dy1 Nb2 73.63(11) . . ?
O1 Dy1 Nb3 36.01(6) . 6 ?
O1 Dy1 Nb3 36.55(6) . . ?
O1 Dy1 Co1 131.61(5) . . ?
O2 Dy1 Nb2 109.67(9) 2_655 . ?
O2 Dy1 Nb3 82.27(10) 2_655 6 ?
O2 Dy1 Nb3 141.55(10) 2_655 . ?
O2 Dy1 Co1 108.15(10) 2_655 . ?
O2 Dy1 O1 107.02(10) 2_655 . ?
O2 Dy1 O4 140.84(14) 2_655 . ?
O2 Dy1 O4 74.94(13) 2_655 2_655 ?
O2 Dy1 O8 79.11(13) 2_655 6 ?
O2 Dy1 O9 86.25(14) 2_655 . ?
O2 Dy1 O10 143.66(13) 2_655 . ?
O3 Dy1 Nb2 144.04(7) . . ?
O3 Dy1 Nb3 86.37(5) . . ?
O3 Dy1 Nb3 101.48(15) . 6 ?
O3 Dy1 Co1 71.23(15) . . ?
O3 Dy1 O1 73.96(16) . . ?
O3 Dy1 O2 94.37(10) . 2_655 ?
O3 Dy1 O4 71.46(15) . . ?
O3 Dy1 O4 70.36(15) . 2_655 ?
O3 Dy1 O8 135.89(18) . 6 ?
O3 Dy1 O9 140.50(17) . . ?
O3 Dy1 O10 116.07(9) . . ?
O4 Dy1 Nb2 101.78(9) . . ?
O4 Dy1 Nb2 140.59(9) 2_655 . ?
O4 Dy1 Nb3 154.87(9) 2_655 6 ?
O4 Dy1 Nb3 135.51(9) . 6 ?
O4 Dy1 Nb3 75.52(9) . . ?
O4 Dy1 Nb3 139.48(9) 2_655 . ?
O4 Dy1 Co1 33.37(9) 2_655 . ?
O4 Dy1 Co1 33.03(9) . . ?
O4 Dy1 O1 103.74(9) . . ?
O4 Dy1 O1 144.30(14) 2_655 . ?
O4 Dy1 O4 65.94(19) . 2_655 ?
O4 Dy1 O8 136.29(13) . 6 ?
O4 Dy1 O9 83.34(13) . . ?
O4 Dy1 O10 71.75(13) . . ?
O8 Dy1 Nb2 34.78(9) 6 . ?
O8 Dy1 Nb3 34.59(10) 6 6 ?
O8 Dy1 Nb3 74.08(9) 6 . ?
O8 Dy1 Co1 152.35(10) 6 . ?
O8 Dy1 O1 66.77(13) 6 . ?
O8 Dy1 O4 144.65(13) 6 2_655 ?
O9 Dy1 Nb2 69.61(10) . . ?
O9 Dy1 Nb3 117.66(10) . 6 ?
O9 Dy1 Nb3 116.71(10) . . ?
O9 Dy1 Co1 71.13(10) . . ?
O9 Dy1 O1 143.24(15) . . ?
O9 Dy1 O4 71.75(13) . 2_655 ?
O9 Dy1 O8 83.08(14) . 6 ?
O9 Dy1 O10 82.32(14) . . ?
O10 Dy1 Nb2 34.19(9) . . ?
O10 Dy1 Nb3 72.99(10) . 6 ?
O10 Dy1 Nb3 34.46(9) . . ?
O10 Dy1 Co1 100.54(10) . . ?
O10 Dy1 O1 66.57(13) . . ?
O10 Dy1 O4 132.12(13) . 2_655 ?
O10 Dy1 O8 65.35(13) . 6 ?
Nb4 Nb1 Nb4 60.64(2) 2_655 . ?
Co1 Nb1 Nb4 112.81(2) . 2_655 ?
Co1 Nb1 Nb4 112.41(2) . . ?
O7 Nb1 Nb4 84.10(11) . 2_655 ?
O7 Nb1 Nb4 121.13(11) . . ?
O7 Nb1 Nb4 83.66(11) 3_665 . ?
O7 Nb1 Nb4 121.31(11) 3_665 2_655 ?
O7 Nb1 Co1 39.09(11) 3_665 . ?
O7 Nb1 Co1 39.07(11) . . ?
O7 Nb1 O7 76.5(2) . 3_665 ?
O7 Nb1 O18 75.94(15) . . ?
O7 Nb1 O18 75.85(15) 3_665 . ?
O11 Nb1 Nb4 33.52(13) . 2_655 ?
O11 Nb1 Nb4 84.55(13) . . ?
O11 Nb1 Co1 128.25(13) . . ?
O11 Nb1 O7 89.71(17) . . ?
O11 Nb1 O7 153.62(17) . 3_665 ?
O11 Nb1 O12 94.40(18) . . ?
O11 Nb1 O18 79.06(16) . . ?
O12 Nb1 Nb4 33.27(12) . . ?
O12 Nb1 Nb4 84.65(12) . 2_655 ?
O12 Nb1 Co1 127.08(13) . . ?
O12 Nb1 O7 88.53(17) . 3_665 ?
O12 Nb1 O7 152.85(17) . . ?
O12 Nb1 O18 78.52(15) . . ?
O17 Nb1 Nb4 138.81(16) . 2_655 ?
O17 Nb1 Nb4 138.66(16) . . ?
O17 Nb1 Co1 93.00(15) . . ?
O17 Nb1 O7 99.13(19) . 3_665 ?
O17 Nb1 O7 99.32(19) . . ?
O17 Nb1 O11 105.3(2) . . ?
O17 Nb1 O12 105.4(2) . . ?
O17 Nb1 O18 173.7(2) . . ?
O18 Nb1 Nb4 45.64(10) . 2_655 ?
O18 Nb1 Nb4 45.41(10) . . ?
O18 Nb1 Co1 80.70(14) . . ?
Nb5 Nb2 Dy1 119.12(2) 6 . ?
Nb5 Nb2 Dy1 118.623(17) . . ?
Nb5 Nb2 Nb5 60.48(2) . 6 ?
O6 Nb2 Dy1 87.45(12) . . ?
O6 Nb2 Nb5 45.97(9) . 6 ?
O6 Nb2 Nb5 46.10(9) . . ?
O8 Nb2 Dy1 42.16(10) 6 . ?
O8 Nb2 Nb5 122.93(11) 6 . ?
O8 Nb2 Nb5 84.34(11) 6 6 ?
O8 Nb2 O6 76.93(14) 6 . ?
O10 Nb2 Dy1 41.87(11) . . ?
O10 Nb2 Nb5 83.36(11) . . ?
O10 Nb2 Nb5 121.85(12) . 6 ?
O10 Nb2 O6 75.95(15) . . ?
O10 Nb2 O8 79.32(15) . 6 ?
O13 Nb2 Dy1 131.28(12) . . ?
O13 Nb2 Nb5 83.00(12) . . ?
O13 Nb2 Nb5 32.22(13) . 6 ?
O13 Nb2 O6 78.09(15) . . ?
O13 Nb2 O8 89.12(16) . 6 ?
O13 Nb2 O10 153.35(18) . . ?
O13 Nb2 O19 91.88(19) . . ?
O14 Nb2 Dy1 89.90(14) . . ?
O14 Nb2 Nb5 135.42(14) . . ?
O14 Nb2 Nb5 136.22(15) . 6 ?
O14 Nb2 O6 177.31(19) . . ?
O14 Nb2 O8 101.36(18) . 6 ?
O14 Nb2 O10 101.75(19) . . ?
O14 Nb2 O13 104.0(2) . . ?
O14 Nb2 O19 102.7(2) . . ?
O19 Nb2 Dy1 130.77(13) . . ?
O19 Nb2 Nb5 32.77(14) . . ?
O19 Nb2 Nb5 83.26(15) . 6 ?
O19 Nb2 O6 78.79(16) . . ?
O19 Nb2 O8 154.94(17) . 6 ?
O19 Nb2 O10 88.90(17) . . ?
Dy1 Nb3 Dy1 85.540(13) . 6 ?
Nb5 Nb3 Dy1 121.92(2) . 6 ?
Nb5 Nb3 Dy1 122.155(17) . . ?
O1 Nb3 Dy1 44.12(3) . 6 ?
O1 Nb3 Dy1 44.85(3) . . ?
O1 Nb3 Nb5 122.65(12) . . ?
O1 Nb3 O6 76.07(15) . . ?
O2 Nb3 Dy1 86.33(12) . 6 ?
O2 Nb3 Dy1 82.75(12) . . ?
O2 Nb3 Nb5 141.12(12) . . ?
O2 Nb3 O1 96.17(16) . . ?
O2 Nb3 O5 106.84(18) . . ?
O2 Nb3 O6 171.97(15) . . ?
O2 Nb3 O8 102.61(16) . . ?
O2 Nb3 O10 99.46(17) . . ?
O5 Nb3 Dy1 136.32(13) . . ?
O5 Nb3 Dy1 136.48(14) . 6 ?
O5 Nb3 Nb5 34.32(13) . . ?
O5 Nb3 O1 156.97(17) . . ?
O5 Nb3 O6 80.91(16) . . ?
O5 Nb3 O8 93.24(17) . . ?
O5 Nb3 O10 92.70(17) . . ?
O6 Nb3 Dy1 89.38(7) . 6 ?
O6 Nb3 Dy1 90.16(7) . . ?
O6 Nb3 Nb5 46.59(9) . . ?
O8 Nb3 Dy1 43.26(10) . 6 ?
O8 Nb3 Dy1 126.93(10) . . ?
O8 Nb3 Nb5 86.05(10) . . ?
O8 Nb3 O1 82.26(11) . . ?
O8 Nb3 O6 78.64(10) . . ?
O10 Nb3 Dy1 43.73(11) . . ?
O10 Nb3 Dy1 126.61(11) . 6 ?
O10 Nb3 Nb5 84.90(11) . . ?
O10 Nb3 O1 82.56(11) . . ?
O10 Nb3 O6 77.72(12) . . ?
O10 Nb3 O8 154.36(16) . . ?
Nb1 Nb4 Nb1 63.45(2) 3_665 . ?
Nb1 Nb4 Nb4 59.891(16) 3_665 3_665 ?
Nb1 Nb4 Nb4 59.469(16) . 2_655 ?
Nb1 Nb4 Nb4 91.330(13) 3_665 2_655 ?
Nb1 Nb4 Nb4 91.080(13) . 3_665 ?
Nb4 Nb4 Nb4 60.0 2_655 3_665 ?
O11 Nb4 Nb1 82.00(12) 3_665 . ?
O11 Nb4 Nb1 31.60(12) 3_665 3_665 ?
O11 Nb4 Nb4 122.82(12) 3_665 2_655 ?
O11 Nb4 Nb4 82.42(13) 3_665 3_665 ?
O11 Nb4 O18 77.84(16) 3_665 . ?
O12 Nb4 Nb1 81.62(12) . 3_665 ?
O12 Nb4 Nb1 31.94(12) . . ?
O12 Nb4 Nb4 82.57(13) . 2_655 ?
O12 Nb4 Nb4 122.87(12) . 3_665 ?
O12 Nb4 O11 84.58(17) . 3_665 ?
O12 Nb4 O18 77.89(16) . . ?
O16 Nb4 Nb1 79.32(12) 3_665 3_665 ?
O16 Nb4 Nb1 123.38(12) 3_665 . ?
O16 Nb4 Nb1 79.02(12) . . ?
O16 Nb4 Nb1 123.74(13) . 3_665 ?
O16 Nb4 Nb4 81.89(12) 3_665 2_655 ?
O16 Nb4 Nb4 32.31(12) 3_665 3_665 ?
O16 Nb4 Nb4 81.97(13) . 3_665 ?
O16 Nb4 Nb4 32.42(12) . 2_655 ?
O16 Nb4 O11 155.10(18) . 3_665 ?
O16 Nb4 O11 87.55(18) 3_665 3_665 ?
O16 Nb4 O12 87.74(18) . . ?
O16 Nb4 O12 155.02(17) 3_665 . ?
O16 Nb4 O16 89.5(2) . 3_665 ?
O16 Nb4 O18 77.29(15) 3_665 . ?
O16 Nb4 O18 77.39(16) . . ?
O18 Nb4 Nb1 46.35(10) . 3_665 ?
O18 Nb4 Nb1 46.10(9) . . ?
O18 Nb4 Nb4 44.99(10) . 3_665 ?
O18 Nb4 Nb4 44.99(10) . 2_655 ?
O20 Nb4 Nb1 133.38(16) . . ?
O20 Nb4 Nb1 132.67(16) . 3_665 ?
O20 Nb4 Nb4 136.00(16) . 2_655 ?
O20 Nb4 Nb4 135.54(16) . 3_665 ?
O20 Nb4 O11 101.1(2) . 3_665 ?
O20 Nb4 O12 101.5(2) . . ?
O20 Nb4 O16 103.6(2) . . ?
O20 Nb4 O16 103.2(2) . 3_665 ?
O20 Nb4 O18 178.9(2) . . ?
Nb2 Nb5 Nb2 90.70(2) . 6 ?
Nb2 Nb5 Nb5 59.65(2) 6 6 ?
Nb2 Nb5 Nb5 59.871(18) . 6 ?
Nb3 Nb5 Nb2 61.099(15) . . ?
Nb3 Nb5 Nb2 61.059(16) . 6 ?
Nb3 Nb5 Nb5 90.741(13) . 6 ?
O5 Nb5 Nb2 82.03(11) . . ?
O5 Nb5 Nb2 81.82(13) . 6 ?
O5 Nb5 Nb3 31.95(11) . . ?
O5 Nb5 Nb5 122.69(11) . 6 ?
O5 Nb5 O6 77.08(14) . . ?
O6 Nb5 Nb2 45.304(14) . 6 ?
O6 Nb5 Nb2 45.428(13) . . ?
O6 Nb5 Nb3 45.13(8) . . ?
O6 Nb5 Nb5 45.61(8) . 6 ?
O13 Nb5 Nb2 31.37(11) 6 6 ?
O13 Nb5 Nb2 122.00(12) 6 . ?
O13 Nb5 Nb3 79.55(11) 6 . ?
O13 Nb5 Nb5 81.61(13) 6 6 ?
O13 Nb5 O5 85.48(17) 6 . ?
O13 Nb5 O6 76.58(11) 6 . ?
O13 Nb5 O19 153.68(17) 6 . ?
O15 Nb5 Nb2 80.28(9) . . ?
O15 Nb5 Nb2 80.07(10) . 6 ?
O15 Nb5 Nb3 122.47(14) . . ?
O15 Nb5 Nb5 31.73(14) . 6 ?
O15 Nb5 O5 154.41(18) . . ?
O15 Nb5 O6 77.34(16) . . ?
O15 Nb5 O13 88.38(13) . 6 ?
O15 Nb5 O19 88.50(14) . . ?
O19 Nb5 Nb2 122.55(12) . 6 ?
O19 Nb5 Nb2 31.89(12) . . ?
O19 Nb5 Nb3 80.17(12) . . ?
O19 Nb5 Nb5 82.06(14) . 6 ?
O19 Nb5 O5 86.14(18) . . ?
O19 Nb5 O6 77.25(12) . . ?
O21 Nb5 Nb2 135.60(19) . 6 ?
O21 Nb5 Nb2 133.69(19) . . ?
O21 Nb5 Nb3 132.64(19) . . ?
O21 Nb5 Nb5 136.61(18) . 6 ?
O21 Nb5 O5 100.7(2) . . ?
O21 Nb5 O6 177.6(2) . . ?
O21 Nb5 O13 104.2(2) . 6 ?
O21 Nb5 O15 104.9(2) . . ?
O21 Nb5 O19 101.8(2) . . ?
Dy1 Co1 Dy1 65.59(2) . 3_665 ?
Dy1 Co1 Dy1 65.59(2) . 2_655 ?
Dy1 Co1 Dy1 65.59(2) 2_655 3_665 ?
Nb1 Co1 Dy1 176.41(3) . 3_665 ?
Nb1 Co1 Dy1 112.414(12) 3_665 3_665 ?
Nb1 Co1 Dy1 176.41(3) 3_665 2_655 ?
Nb1 Co1 Dy1 110.955(12) . 2_655 ?
Nb1 Co1 Dy1 112.412(12) 2_655 2_655 ?
Nb1 Co1 Dy1 110.956(12) 2_655 3_665 ?
Nb1 Co1 Dy1 112.412(12) . . ?
Nb1 Co1 Dy1 176.41(3) 2_655 . ?
Nb1 Co1 Dy1 110.956(12) 3_665 . ?
Nb1 Co1 Nb1 70.98(3) . 2_655 ?
Nb1 Co1 Nb1 70.98(3) . 3_665 ?
Nb1 Co1 Nb1 70.98(3) 2_655 3_665 ?
O4 Co1 Dy1 44.34(11) 2_655 . ?
O4 Co1 Dy1 42.51(11) . . ?
O4 Co1 Dy1 44.34(11) . 3_665 ?
O4 Co1 Dy1 42.51(11) 2_655 2_655 ?
O4 Co1 Dy1 90.78(12) . 2_655 ?
O4 Co1 Dy1 44.34(11) 3_665 2_655 ?
O4 Co1 Dy1 90.78(12) 2_655 3_665 ?
O4 Co1 Dy1 42.51(11) 3_665 3_665 ?
O4 Co1 Dy1 90.78(12) 3_665 . ?
O4 Co1 Nb1 85.83(11) . 3_665 ?
O4 Co1 Nb1 135.83(11) . 2_655 ?
O4 Co1 Nb1 135.84(11) 2_655 3_665 ?
O4 Co1 Nb1 136.35(11) . . ?
O4 Co1 Nb1 85.83(11) 2_655 . ?
O4 Co1 Nb1 136.35(11) 2_655 2_655 ?
O4 Co1 Nb1 135.84(11) 3_665 . ?
O4 Co1 Nb1 85.83(11) 3_665 2_655 ?
O4 Co1 Nb1 136.35(11) 3_665 3_665 ?
O4 Co1 O4 86.18(17) 2_655 . ?
O4 Co1 O4 86.18(17) 3_665 . ?
O4 Co1 O4 86.18(17) 2_655 3_665 ?
O7 Co1 Dy1 90.08(12) 3_665 . ?
O7 Co1 Dy1 90.08(12) 2_655 3_665 ?
O7 Co1 Dy1 90.08(12) . 2_655 ?
O7 Co1 Dy1 136.02(12) 2_655 . ?
O7 Co1 Dy1 138.18(12) 2_655 2_655 ?
O7 Co1 Dy1 136.02(12) 3_665 2_655 ?
O7 Co1 Dy1 138.18(12) . . ?
O7 Co1 Dy1 138.18(12) 3_665 3_665 ?
O7 Co1 Dy1 136.02(12) . 3_665 ?
O7 Co1 Nb1 43.52(12) 3_665 . ?
O7 Co1 Nb1 93.31(13) . 3_665 ?
O7 Co1 Nb1 43.52(12) . 2_655 ?
O7 Co1 Nb1 43.36(12) . . ?
O7 Co1 Nb1 43.53(12) 2_655 3_665 ?
O7 Co1 Nb1 93.32(13) 2_655 . ?
O7 Co1 Nb1 43.36(12) 2_655 2_655 ?
O7 Co1 Nb1 93.32(13) 3_665 2_655 ?
O7 Co1 Nb1 43.36(12) 3_665 3_665 ?
O7 Co1 O4 94.59(16) . 2_655 ?
O7 Co1 O4 94.59(16) 2_655 3_665 ?
O7 Co1 O4 94.30(16) 2_655 . ?
O7 Co1 O4 179.12(17) 2_655 2_655 ?
O7 Co1 O4 94.58(16) 3_665 . ?
O7 Co1 O4 179.12(19) 3_665 3_665 ?
O7 Co1 O4 94.30(16) 3_665 2_655 ?
O7 Co1 O4 94.31(16) . 3_665 ?
O7 Co1 O4 179.11(18) . . ?
O7 Co1 O7 84.93(18) 3_665 2_655 ?
O7 Co1 O7 84.93(18) . 2_655 ?
O7 Co1 O7 84.92(18) 3_665 . ?
Na2 Na1 Na2 120.74(17) 2 3_665 ?
O1W Na1 Na2 41.20(11) . 3_665 ?
O1W Na1 Na2 141.98(15) 5 3_665 ?
O1W Na1 Na2 141.97(15) . 2 ?
O1W Na1 Na2 41.20(11) 5 2 ?
O1W Na1 O1W 175.9(3) 5 . ?
O1W Na1 O3W 98.47(19) . 8_566 ?
O1W Na1 O3W 84.76(19) . 12_665 ?
O1W Na1 O3W 84.75(18) 5 8_566 ?
O1W Na1 O3W 98.48(19) 5 12_665 ?
O3W Na1 Na2 87.08(19) 12_665 2 ?
O3W Na1 Na2 43.56(16) 12_665 3_665 ?
O3W Na1 Na2 87.08(19) 8_566 3_665 ?
O3W Na1 Na2 43.56(16) 8_566 2 ?
O3W Na1 O3W 76.7(3) 8_566 12_665 ?
O4W Na1 Na2 96.70(14) . 2 ?
O4W Na1 Na2 126.85(13) . 3_665 ?
O4W Na1 Na2 126.84(13) 5 2 ?
O4W Na1 Na2 96.70(14) 5 3_665 ?
O4W Na1 O1W 91.13(17) 5 . ?
O4W Na1 O1W 85.90(16) 5 5 ?
O4W Na1 O1W 85.90(16) . . ?
O4W Na1 O1W 91.13(17) . 5 ?
O4W Na1 O3W 98.9(2) . 8_566 ?
O4W Na1 O3W 168.95(19) 5 8_566 ?
O4W Na1 O3W 98.9(2) 5 12_665 ?
O4W Na1 O3W 168.95(19) . 12_665 ?
O4W Na1 O4W 87.2(3) 5 . ?
Dy1 O1 Dy1 146.1(2) 6 . ?
Nb3 O1 Dy1 99.87(3) 6 . ?
Nb3 O1 Dy1 98.60(3) 6 6 ?
Nb3 O1 Dy1 98.60(3) . . ?
Nb3 O1 Dy1 99.87(3) . 6 ?
Nb3 O1 Nb3 113.2(2) . 6 ?
Na1 Na2 Na1 119.26(17) 3 2_655 ?
O1W Na2 Na1 141.13(18) 6 2_655 ?
O1W Na2 Na1 41.83(11) 6 3 ?
O1W Na2 Na1 41.83(11) 2_655 2_655 ?
O1W Na2 Na1 141.13(18) 2_655 3 ?
O1W Na2 O1W 176.2(3) 2_655 6 ?
O1W Na2 O3W 84.70(18) 6 7_656 ?
O1W Na2 O3W 98.3(2) 6 11 ?
O1W Na2 O3W 98.3(2) 2_655 7_656 ?
O1W Na2 O3W 84.70(18) 2_655 11 ?
O1W Na2 O5W 87.29(19) 6 5_655 ?
O1W Na2 O5W 90.55(19) 2_655 5_655 ?
O1W Na2 O5W 87.29(19) 2_655 . ?
O1W Na2 O5W 90.55(19) 6 . ?
O3W Na2 Na1 42.87(14) 11 2_655 ?
O3W Na2 Na1 42.87(14) 7_656 3 ?
O3W Na2 Na1 86.33(19) 11 3 ?
O3W Na2 Na1 86.33(19) 7_656 2_655 ?
O3W Na2 O3W 76.0(3) 11 7_656 ?
O5W Na2 Na1 126.76(14) . 2_655 ?
O5W Na2 Na1 126.76(14) 5_655 3 ?
O5W Na2 Na1 88.75(17) . 3 ?
O5W Na2 Na1 88.75(17) 5_655 2_655 ?
O5W Na2 O3W 87.5(2) . 7_656 ?
O5W Na2 O3W 160.4(3) 5_655 7_656 ?
O5W Na2 O3W 87.5(2) 5_655 11 ?
O5W Na2 O3W 160.4(3) . 11 ?
O5W Na2 O5W 110.5(4) . 5_655 ?
Nb3 O2 Dy1 137.94(19) . 3_665 ?
Na2 O1W Na1 96.98(19) 3_665 . ?
Dy1 O3 Dy1 109.00(15) 2_655 3_665 ?
Dy1 O3 Dy1 109.00(15) . 3_665 ?
Dy1 O3 Dy1 109.00(15) 2_655 . ?
Dy1 O4 Dy1 100.08(14) . 3_665 ?
Co1 O4 Dy1 104.46(16) . . ?
Co1 O4 Dy1 102.29(16) . 3_665 ?
Nb3 O5 Nb5 113.7(2) . . ?
Nb2 O6 Nb2 176.1(2) 6 . ?
Nb2 O6 Nb5 88.47(9) . . ?
Nb2 O6 Nb5 88.73(9) 6 . ?
Nb2 O6 Nb5 88.47(9) 6 6 ?
Nb2 O6 Nb5 88.73(9) . 6 ?
Nb3 O6 Nb2 91.36(8) 6 . ?
Nb3 O6 Nb2 91.30(8) . . ?
Nb3 O6 Nb2 91.30(8) 6 6 ?
Nb3 O6 Nb2 91.36(8) . 6 ?
Nb3 O6 Nb3 94.66(18) . 6 ?
Nb3 O6 Nb5 177.06(17) . 6 ?
Nb3 O6 Nb5 88.285(19) . . ?
Nb3 O6 Nb5 177.06(18) 6 . ?
Nb3 O6 Nb5 88.284(19) 6 6 ?
Nb5 O6 Nb5 88.78(17) . 6 ?
Nb1 O7 Nb1 113.68(18) . 2_655 ?
Co1 O7 Nb1 97.39(18) . 2_655 ?
Co1 O7 Nb1 97.57(17) . . ?
Nb2 O8 Dy1 103.05(16) 6 6 ?
Nb3 O8 Dy1 102.15(15) . 6 ?
Nb3 O8 Nb2 112.13(17) . 6 ?
Nb2 O10 Dy1 103.94(15) . . ?
Nb3 O10 Dy1 101.81(16) . . ?
Nb3 O10 Nb2 114.2(2) . . ?
Nb1 O11 Nb4 114.9(2) . 2_655 ?
Nb1 O12 Nb4 114.8(2) . . ?
Nb2 O13 Nb5 116.41(19) . 6 ?
Na1 O3W Na2 93.6(2) 9_656 7_656 ?
Nb5 O15 Nb5 116.5(3) 6 . ?
Nb4 O16 Nb4 115.3(2) . 2_655 ?
Nb1 O18 Nb1 93.43(19) . 3_665 ?
Nb1 O18 Nb1 93.43(19) . 2_655 ?
Nb1 O18 Nb1 93.43(19) 2_655 3_665 ?
Nb4 O18 Nb1 88.01(2) . 3_665 ?
Nb4 O18 Nb1 88.49(2) 3_665 3_665 ?
Nb4 O18 Nb1 177.5(3) 2_655 3_665 ?
Nb4 O18 Nb1 88.01(2) 2_655 . ?
Nb4 O18 Nb1 88.49(2) . . ?
Nb4 O18 Nb1 88.49(2) 2_655 2_655 ?
Nb4 O18 Nb1 88.01(2) 3_665 2_655 ?
Nb4 O18 Nb1 177.5(3) . 2_655 ?
Nb4 O18 Nb1 177.5(3) 3_665 . ?
Nb4 O18 Nb4 90.0(2) 2_655 3_665 ?
Nb4 O18 Nb4 90.0(2) . 3_665 ?
Nb4 O18 Nb4 90.0(2) 2_655 . ?
Nb2 O19 Nb5 115.3(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.005 -0.003 0.000 1545.9 71.9
2 0.000 0.000 0.250 12.2 -1.2
3 -0.003 0.730 0.500 1546.1 73.7
4 0.000 0.000 0.750 12.2 -1.2
_platon_squeeze_details          
; ?
;
