# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
# 
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data_007
_database_code_depnum_ccdc_archive 'CCDC 1875558'
_audit_update_record             
;
2018-10-26 deposited with the CCDC.
2018-11-19 downloaded from the CCDC.
;
_audit_creation_date             2018-10-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(Ca8 Na6 O30 P6 Te2)'
_chemical_formula_sum            'Ca4 Na3 O15 P3 Te'
_chemical_formula_weight         689.80
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.2262 0.3064 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'

_cell_length_a                   10.7110(3)
_cell_length_b                   10.7110(3)
_cell_length_c                   6.8995(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     685.50(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6941
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.3020
_cell_measurement_theta_min      3.6440
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.197
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            7380
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.350
_diffrn_reflns_theta_min         3.680
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.836
_reflns_Friedel_fraction_full    0.955
_reflns_Friedel_fraction_max     0.958
_reflns_number_gt                896
_reflns_number_total             896
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.039
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.223
_refine_ls_abs_structure_details 
;
 Flack x determined using 407 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.003(12)
_refine_ls_extinction_coef       0.042(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         896
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.195
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+15.3099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.0965
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_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
P1 P -0.1727(4) -0.8242(4) -1.1596(5) 0.0109(8) Uani 1 1 d . . . . .
Ca1 Ca -0.0575(3) -0.5300(3) -0.9263(4) 0.0126(7) Uani 1 1 d . . . . .
Ca2 Ca 0.0000 -1.0000 -1.3765(14) 0.0423(17) Uani 1 3 d S T P . .
O5 O -0.2205(13) -0.7824(13) -0.972(2) 0.032(3) Uani 1 1 d . . . . .
Te1 Te -0.3333 -0.6667 -1.4815(2) 0.0081(5) Uani 1 3 d S T P . .
O4 O -0.0948(14) -0.9063(14) -1.116(2) 0.031(3) Uani 1 1 d . . . . .
O1 O -0.407(3) -0.570(4) -1.6113(18) 0.105(11) Uani 1 1 d . . . . .
O2 O -0.075(2) -0.687(2) -1.260(4) 0.088(9) Uani 1 1 d . . . . .
O3 O -0.302(2) -0.917(2) -1.280(4) 0.090(9) Uani 1 1 d . . . . .
Na1 Na -0.1594(5) -0.3213(6) -1.6557(9) 0.0089(11) 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
P1 Ca1 3.186(5) . ?
P1 Ca1 3.231(5) 5_545 ?
P1 Ca2 3.563(5) . ?
P1 O5 1.536(14) . ?
P1 O4 1.514(12) . ?
P1 O2 1.480(16) . ?
P1 O3 1.489(15) . ?
P1 Na1 3.089(6) 4_545 ?
P1 Na1 3.141(6) 6_545 ?
P1 Na1 3.432(7) 5_545 ?
Ca1 P1 3.231(5) 3_445 ?
Ca1 O5 2.395(13) . ?
Ca1 O5 2.388(12) 3_445 ?
Ca1 O1 2.385(13) 5_546 ?
Ca1 O1 2.413(14) 2 ?
Ca1 O2 2.333(15) 4_545 ?
Ca1 O2 2.81(3) . ?
Ca1 O3 2.98(3) 3_445 ?
Ca1 O3 2.342(15) 6_655 ?
Ca1 Na1 3.481(6) 1_556 ?
Ca1 Na1 3.476(6) 5_546 ?
Ca2 Ca2 3.44977(15) 2_444 ?
Ca2 Ca2 3.44973(15) 2_445 ?
Ca2 O4 2.408(15) 6_654 ?
Ca2 O4 2.506(15) 3_435 ?
Ca2 O4 2.506(15) . ?
Ca2 O4 2.408(15) 2_444 ?
Ca2 O4 2.408(15) 4_534 ?
Ca2 O4 2.506(15) 5_645 ?
Ca2 Na1 3.347(7) 2_545 ?
Ca2 Na1 3.347(7) 4_545 ?
Ca2 Na1 3.347(7) 6_545 ?
Ca2 Na1 3.548(7) 1_545 ?
O5 Ca1 2.388(12) 5_545 ?
O5 Na1 2.439(16) 5_546 ?
Te1 Ca1 3.645(3) 6_554 ?
Te1 Ca1 3.645(3) 2_444 ?
Te1 Ca1 3.645(3) 4_544 ?
Te1 O1 1.822(13) 5_545 ?
Te1 O1 1.822(13) . ?
Te1 O1 1.822(13) 3_445 ?
Te1 Na1 3.422(5) 5_545 ?
Te1 Na1 3.422(6) . ?
Te1 Na1 3.422(5) 3_445 ?
O4 Ca2 2.408(15) 2_445 ?
O4 Na1 2.610(15) 6_545 ?
O4 Na1 2.606(15) 4_545 ?
O1 Ca1 2.385(13) 3_444 ?
O1 Ca1 2.413(13) 6_554 ?
O1 Na1 2.68(4) . ?
O1 Na1 2.90(4) 3_445 ?
O2 Ca1 2.333(15) 4_544 ?
O2 Na1 2.57(2) 4_545 ?
O3 Ca1 2.98(3) 5_545 ?
O3 Ca1 2.342(15) 2_444 ?
O3 Na1 2.66(2) 6_545 ?
O3 Na1 2.90(3) 5_545 ?
Na1 P1 3.141(6) 2_454 ?
Na1 P1 3.089(6) 4_544 ?
Na1 Ca2 3.347(7) 2_454 ?
Na1 O5 2.439(16) 3_444 ?
Na1 O4 2.610(15) 2_454 ?
Na1 O4 2.606(15) 4_544 ?
Na1 O1 2.90(4) 5_545 ?
Na1 O2 2.57(2) 4_544 ?
Na1 O3 2.66(2) 2_454 ?
Na1 O3 2.90(3) 3_445 ?

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
Ca1 P1 Ca1 87.36(13) . 5_545 ?
Ca1 P1 Ca2 132.75(13) 5_545 . ?
Ca1 P1 Ca2 133.48(14) . . ?
Ca1 P1 Na1 121.95(15) 5_545 5_545 ?
Ca1 P1 Na1 123.25(15) . 5_545 ?
O5 P1 Ca1 46.2(5) . . ?
O5 P1 Ca1 44.4(5) . 5_545 ?
O5 P1 Ca2 147.5(5) . . ?
O5 P1 Na1 108.2(5) . 4_545 ?
O5 P1 Na1 151.4(5) . 5_545 ?
O5 P1 Na1 106.1(5) . 6_545 ?
O4 P1 Ca1 114.9(5) . . ?
O4 P1 Ca1 113.7(6) . 5_545 ?
O4 P1 Ca2 36.2(6) . . ?
O4 P1 O5 111.4(8) . . ?
O4 P1 Na1 57.4(5) . 4_545 ?
O4 P1 Na1 55.8(5) . 6_545 ?
O4 P1 Na1 97.1(6) . 5_545 ?
O2 P1 Ca1 134.1(7) . 5_545 ?
O2 P1 Ca1 61.7(12) . . ?
O2 P1 Ca2 91.6(8) . . ?
O2 P1 O5 106.3(12) . . ?
O2 P1 O4 110.1(9) . . ?
O2 P1 O3 111.3(16) . . ?
O2 P1 Na1 147.6(11) . 6_545 ?
O2 P1 Na1 63.8(13) . 5_545 ?
O2 P1 Na1 55.7(9) . 4_545 ?
O3 P1 Ca1 66.9(12) . 5_545 ?
O3 P1 Ca1 135.7(7) . . ?
O3 P1 Ca2 88.0(9) . . ?
O3 P1 O5 109.3(13) . . ?
O3 P1 O4 108.4(9) . . ?
O3 P1 Na1 142.4(12) . 4_545 ?
O3 P1 Na1 56.9(13) . 5_545 ?
O3 P1 Na1 57.7(9) . 6_545 ?
Na1 P1 Ca1 73.26(14) 6_545 5_545 ?
Na1 P1 Ca1 149.01(18) 6_545 . ?
Na1 P1 Ca1 149.49(17) 4_545 5_545 ?
Na1 P1 Ca1 73.60(14) 4_545 . ?
Na1 P1 Ca2 59.92(13) 4_545 . ?
Na1 P1 Ca2 59.51(12) 6_545 . ?
Na1 P1 Ca2 60.93(18) 5_545 . ?
Na1 P1 Na1 87.71(16) 6_545 5_545 ?
Na1 P1 Na1 88.55(17) 4_545 5_545 ?
Na1 P1 Na1 111.9(2) 4_545 6_545 ?
P1 Ca1 P1 105.57(15) . 3_445 ?
P1 Ca1 Na1 62.46(12) 3_445 1_556 ?
P1 Ca1 Na1 62.92(13) . 5_546 ?
P1 Ca1 Na1 143.90(14) 3_445 5_546 ?
P1 Ca1 Na1 144.61(14) . 1_556 ?
O5 Ca1 P1 109.7(3) 3_445 . ?
O5 Ca1 P1 26.7(4) 3_445 3_445 ?
O5 Ca1 P1 109.2(3) . 3_445 ?
O5 Ca1 P1 27.6(3) . . ?
O5 Ca1 O5 100.3(5) 3_445 . ?
O5 Ca1 O1 120.4(8) . 2 ?
O5 Ca1 O1 114.4(8) 3_445 2 ?
O5 Ca1 O2 107.0(6) 3_445 . ?
O5 Ca1 O2 54.6(5) . . ?
O5 Ca1 O3 53.4(5) 3_445 3_445 ?
O5 Ca1 O3 106.0(5) . 3_445 ?
O5 Ca1 Na1 120.8(3) 3_445 5_546 ?
O5 Ca1 Na1 120.7(3) . 1_556 ?
O5 Ca1 Na1 44.5(4) 3_445 1_556 ?
O5 Ca1 Na1 44.5(4) . 5_546 ?
O1 Ca1 P1 106.7(8) 5_546 . ?
O1 Ca1 P1 93.5(7) 2 . ?
O1 Ca1 P1 110.5(8) 5_546 3_445 ?
O1 Ca1 P1 88.8(7) 2 3_445 ?
O1 Ca1 O5 84.3(8) 5_546 3_445 ?
O1 Ca1 O5 80.1(8) 5_546 . ?
O1 Ca1 O1 146.2(4) 5_546 2 ?
O1 Ca1 O2 69.2(7) 2 . ?
O1 Ca1 O2 134.4(8) 5_546 . ?
O1 Ca1 O3 66.5(6) 2 3_445 ?
O1 Ca1 O3 137.7(8) 5_546 3_445 ?
O1 Ca1 Na1 118.0(8) 2 1_556 ?
O1 Ca1 Na1 55.7(9) 5_546 1_556 ?
O1 Ca1 Na1 124.4(8) 2 5_546 ?
O1 Ca1 Na1 50.3(9) 5_546 5_546 ?
O2 Ca1 P1 91.4(4) . 3_445 ?
O2 Ca1 P1 82.5(6) 4_545 3_445 ?
O2 Ca1 P1 27.7(3) . . ?
O2 Ca1 P1 167.6(5) 4_545 . ?
O2 Ca1 O5 81.8(5) 4_545 3_445 ?
O2 Ca1 O5 158.1(9) 4_545 . ?
O2 Ca1 O1 77.1(10) 4_545 2 ?
O2 Ca1 O1 78.4(10) 4_545 5_546 ?
O2 Ca1 O2 145.9(7) 4_545 . ?
O2 Ca1 O3 92.8(9) 4_545 3_445 ?
O2 Ca1 O3 89.5(7) 4_545 6_655 ?
O2 Ca1 O3 69.3(5) . 3_445 ?
O2 Ca1 Na1 151.5(5) . 1_556 ?
O2 Ca1 Na1 88.4(3) . 5_546 ?
O2 Ca1 Na1 47.5(6) 4_545 1_556 ?
O2 Ca1 Na1 115.8(8) 4_545 5_546 ?
O3 Ca1 P1 166.2(6) 6_655 3_445 ?
O3 Ca1 P1 27.4(3) 3_445 3_445 ?
O3 Ca1 P1 90.7(4) 3_445 . ?
O3 Ca1 P1 80.7(6) 6_655 . ?
O3 Ca1 O5 82.2(5) 6_655 . ?
O3 Ca1 O5 162.1(9) 6_655 3_445 ?
O3 Ca1 O1 78.4(9) 6_655 2 ?
O3 Ca1 O1 78.6(10) 6_655 5_546 ?
O3 Ca1 O2 88.9(9) 6_655 . ?
O3 Ca1 O3 143.2(8) 6_655 3_445 ?
O3 Ca1 Na1 150.5(4) 3_445 5_546 ?
O3 Ca1 Na1 49.9(6) 6_655 5_546 ?
O3 Ca1 Na1 87.9(3) 3_445 1_556 ?
O3 Ca1 Na1 119.2(8) 6_655 1_556 ?
Na1 Ca1 Na1 105.8(2) 5_546 1_556 ?
Ca2 Ca2 Ca2 180.0 2_445 2_444 ?
Ca2 Ca2 Na1 57.13(16) 2_444 1_545 ?
Ca2 Ca2 Na1 122.87(16) 2_445 1_545 ?
O4 Ca2 Ca2 133.4(4) 2_444 2_445 ?
O4 Ca2 Ca2 133.4(4) 6_654 2_445 ?
O4 Ca2 Ca2 46.6(4) 6_654 2_444 ?
O4 Ca2 Ca2 46.6(4) 4_534 2_444 ?
O4 Ca2 Ca2 135.7(3) 3_435 2_444 ?
O4 Ca2 Ca2 135.7(3) 5_645 2_444 ?
O4 Ca2 Ca2 44.3(3) . 2_445 ?
O4 Ca2 Ca2 44.3(3) 5_645 2_445 ?
O4 Ca2 Ca2 44.3(3) 3_435 2_445 ?
O4 Ca2 Ca2 46.6(4) 2_444 2_444 ?
O4 Ca2 Ca2 133.4(4) 4_534 2_445 ?
O4 Ca2 Ca2 135.7(3) . 2_444 ?
O4 Ca2 O4 77.9(6) 2_444 4_534 ?
O4 Ca2 O4 103.8(3) 6_654 . ?
O4 Ca2 O4 177.7(6) 6_654 3_435 ?
O4 Ca2 O4 77.9(6) 2_444 6_654 ?
O4 Ca2 O4 103.8(3) 2_444 3_435 ?
O4 Ca2 O4 77.9(6) 4_534 6_654 ?
O4 Ca2 O4 177.7(6) 4_534 . ?
O4 Ca2 O4 177.7(6) 2_444 5_645 ?
O4 Ca2 O4 74.4(5) 5_645 . ?
O4 Ca2 O4 74.4(5) . 3_435 ?
O4 Ca2 O4 103.8(3) 4_534 3_435 ?
O4 Ca2 O4 103.8(3) 6_654 5_645 ?
O4 Ca2 O4 74.4(5) 5_645 3_435 ?
O4 Ca2 O4 103.8(3) 2_444 . ?
O4 Ca2 O4 103.8(3) 4_534 5_645 ?
O4 Ca2 Na1 129.5(3) 6_654 2_545 ?
O4 Ca2 Na1 47.3(3) 2_444 1_545 ?
O4 Ca2 Na1 129.6(3) 6_654 6_545 ?
O4 Ca2 Na1 50.4(3) 5_645 2_545 ?
O4 Ca2 Na1 133.0(3) . 1_545 ?
O4 Ca2 Na1 107.2(4) . 2_545 ?
O4 Ca2 Na1 50.5(3) . 6_545 ?
O4 Ca2 Na1 50.5(3) 3_435 2_545 ?
O4 Ca2 Na1 103.7(5) 6_654 1_545 ?
O4 Ca2 Na1 129.5(3) 2_444 4_545 ?
O4 Ca2 Na1 129.6(3) 2_444 2_545 ?
O4 Ca2 Na1 129.6(4) 4_534 4_545 ?
O4 Ca2 Na1 70.5(3) 4_534 2_545 ?
O4 Ca2 Na1 70.5(3) 6_654 4_545 ?
O4 Ca2 Na1 50.4(3) 3_435 6_545 ?
O4 Ca2 Na1 50.5(3) 5_645 4_545 ?
O4 Ca2 Na1 47.3(4) 4_534 1_545 ?
O4 Ca2 Na1 50.4(3) . 4_545 ?
O4 Ca2 Na1 132.9(3) 5_645 1_545 ?
O4 Ca2 Na1 107.2(4) 3_435 4_545 ?
O4 Ca2 Na1 78.6(3) 3_435 1_545 ?
O4 Ca2 Na1 70.5(3) 2_444 6_545 ?
O4 Ca2 Na1 129.5(4) 4_534 6_545 ?
O4 Ca2 Na1 107.2(4) 5_645 6_545 ?
Na1 Ca2 Ca2 62.92(18) 4_545 2_445 ?
Na1 Ca2 Ca2 117.08(17) 2_545 2_444 ?
Na1 Ca2 Ca2 117.08(17) 4_545 2_444 ?
Na1 Ca2 Ca2 62.92(17) 6_545 2_445 ?
Na1 Ca2 Ca2 62.92(18) 2_545 2_445 ?
Na1 Ca2 Ca2 117.08(18) 6_545 2_444 ?
Na1 Ca2 Na1 100.9(2) 4_545 2_545 ?
Na1 Ca2 Na1 100.9(2) 6_545 2_545 ?
Na1 Ca2 Na1 100.9(2) 4_545 6_545 ?
Na1 Ca2 Na1 82.72(6) 6_545 1_545 ?
Na1 Ca2 Na1 82.72(6) 2_545 1_545 ?
Na1 Ca2 Na1 174.2(3) 4_545 1_545 ?
P1 O5 Ca1 106.2(6) . . ?
P1 O5 Ca1 108.9(7) . 5_545 ?
P1 O5 Na1 120.9(6) . 5_546 ?
Ca1 O5 Ca1 135.8(5) 5_545 . ?
Ca1 O5 Na1 92.3(5) 5_545 5_546 ?
Ca1 O5 Na1 92.0(5) . 5_546 ?
Ca1 Te1 Ca1 118.920(18) 2_444 6_554 ?
Ca1 Te1 Ca1 118.919(17) 4_544 2_444 ?
Ca1 Te1 Ca1 118.919(18) 4_544 6_554 ?
O1 Te1 Ca1 35.7(4) . 6_554 ?
O1 Te1 Ca1 122.9(12) . 2_444 ?
O1 Te1 Ca1 122.9(11) 3_445 4_544 ?
O1 Te1 Ca1 35.7(4) 3_445 2_444 ?
O1 Te1 Ca1 122.9(11) 5_545 6_554 ?
O1 Te1 Ca1 115.0(11) 3_445 6_554 ?
O1 Te1 Ca1 35.7(4) 5_545 4_544 ?
O1 Te1 Ca1 115.0(11) 5_545 2_444 ?
O1 Te1 Ca1 115.0(11) . 4_544 ?
O1 Te1 O1 97.9(5) 5_545 . ?
O1 Te1 O1 97.9(6) 3_445 . ?
O1 Te1 O1 97.9(5) 5_545 3_445 ?
O1 Te1 Na1 51.0(12) . . ?
O1 Te1 Na1 51.0(11) 5_545 5_545 ?
O1 Te1 Na1 58.1(12) 5_545 . ?
O1 Te1 Na1 58.1(12) . 3_445 ?
O1 Te1 Na1 58.1(12) 3_445 5_545 ?
O1 Te1 Na1 129.9(4) 3_445 . ?
O1 Te1 Na1 129.9(4) . 5_545 ?
O1 Te1 Na1 129.9(4) 5_545 3_445 ?
O1 Te1 Na1 51.0(11) 3_445 3_445 ?
Na1 Te1 Ca1 64.19(10) 5_545 2_444 ?
Na1 Te1 Ca1 64.19(10) 3_445 6_554 ?
Na1 Te1 Ca1 165.44(12) 3_445 4_544 ?
Na1 Te1 Ca1 65.02(10) 5_545 4_544 ?
Na1 Te1 Ca1 65.02(10) . 6_554 ?
Na1 Te1 Ca1 165.45(12) . 2_444 ?
Na1 Te1 Ca1 165.44(12) 5_545 6_554 ?
Na1 Te1 Ca1 65.02(10) 3_445 2_444 ?
Na1 Te1 Ca1 64.19(10) . 4_544 ?
Na1 Te1 Na1 108.37(11) 5_545 . ?
Na1 Te1 Na1 108.37(11) 5_545 3_445 ?
Na1 Te1 Na1 108.37(10) 3_445 . ?
P1 O4 Ca2 122.9(8) . . ?
P1 O4 Ca2 147.9(9) . 2_445 ?
P1 O4 Na1 95.5(6) . 6_545 ?
P1 O4 Na1 93.3(6) . 4_545 ?
Ca2 O4 Ca2 89.2(4) 2_445 . ?
Ca2 O4 Na1 81.7(4) . 6_545 ?
Ca2 O4 Na1 81.8(4) . 4_545 ?
Ca2 O4 Na1 89.9(5) 2_445 6_545 ?
Ca2 O4 Na1 90.0(4) 2_445 4_545 ?
Na1 O4 Na1 163.5(6) 4_545 6_545 ?
Ca1 O1 Ca1 97.6(5) 3_444 6_554 ?
Ca1 O1 Na1 81.7(9) 3_444 3_445 ?
Ca1 O1 Na1 96.5(10) 6_554 . ?
Ca1 O1 Na1 86.5(8) 3_444 . ?
Ca1 O1 Na1 89.5(9) 6_554 3_445 ?
Te1 O1 Ca1 143.2(8) . 3_444 ?
Te1 O1 Ca1 118.2(6) . 6_554 ?
Te1 O1 Na1 97.2(12) . . ?
Te1 O1 Na1 89.7(12) . 3_445 ?
Na1 O1 Na1 167.4(6) . 3_445 ?
P1 O2 Ca1 90.6(12) . . ?
P1 O2 Ca1 173.7(13) . 4_544 ?
P1 O2 Na1 95.8(10) . 4_545 ?
Ca1 O2 Ca1 88.8(8) 4_544 . ?
Ca1 O2 Na1 90.4(7) 4_544 4_545 ?
Na1 O2 Ca1 88.7(10) 4_545 . ?
P1 O3 Ca1 170.0(18) . 2_444 ?
P1 O3 Ca1 85.8(12) . 5_545 ?
P1 O3 Na1 97.6(14) . 5_545 ?
P1 O3 Na1 94.0(10) . 6_545 ?
Ca1 O3 Ca1 84.6(8) 2_444 5_545 ?
Ca1 O3 Na1 91.0(8) 2_444 5_545 ?
Ca1 O3 Na1 87.7(7) 2_444 6_545 ?
Na1 O3 Ca1 164.7(7) 5_545 5_545 ?
Na1 O3 Ca1 84.6(9) 6_545 5_545 ?
Na1 O3 Na1 110.0(8) 6_545 5_545 ?
P1 Na1 P1 128.1(2) 4_544 2_454 ?
P1 Na1 Ca2 66.53(13) 2_454 2_454 ?
P1 Na1 Ca2 67.09(13) 4_544 2_454 ?
P1 Na1 Te1 114.56(18) 4_544 . ?
P1 Na1 Te1 114.22(17) 2_454 . ?
Ca2 Na1 Te1 173.5(2) 2_454 . ?
O5 Na1 P1 100.8(3) 3_444 2_454 ?
O5 Na1 P1 100.7(3) 3_444 4_544 ?
O5 Na1 Ca2 89.3(3) 3_444 2_454 ?
O5 Na1 Te1 84.2(3) 3_444 . ?
O5 Na1 O4 116.9(5) 3_444 4_544 ?
O5 Na1 O4 116.8(5) 3_444 2_454 ?
O5 Na1 O1 73.7(4) 3_444 . ?
O5 Na1 O1 73.1(4) 3_444 5_545 ?
O5 Na1 O2 76.2(5) 3_444 4_544 ?
O5 Na1 O3 75.1(5) 3_444 2_454 ?
O5 Na1 O3 135.3(5) 3_444 3_445 ?
O4 Na1 P1 99.4(3) 4_544 2_454 ?
O4 Na1 P1 100.1(3) 2_454 4_544 ?
O4 Na1 P1 29.3(3) 4_544 4_544 ?
O4 Na1 P1 28.7(3) 2_454 2_454 ?
O4 Na1 Ca2 47.8(3) 4_544 2_454 ?
O4 Na1 Ca2 47.8(3) 2_454 2_454 ?
O4 Na1 Te1 136.4(3) 4_544 . ?
O4 Na1 Te1 135.6(3) 2_454 . ?
O4 Na1 O4 71.0(5) 4_544 2_454 ?
O4 Na1 O1 114.2(4) 4_544 5_545 ?
O4 Na1 O1 166.3(4) 2_454 5_545 ?
O4 Na1 O1 113.1(4) 2_454 . ?
O4 Na1 O1 166.3(5) 4_544 . ?
O4 Na1 O3 80.8(5) 4_544 3_445 ?
O4 Na1 O3 121.6(6) 4_544 2_454 ?
O4 Na1 O3 55.0(5) 2_454 2_454 ?
O4 Na1 O3 107.7(5) 2_454 3_445 ?
O1 Na1 P1 86.6(3) 5_545 4_544 ?
O1 Na1 P1 145.0(3) 5_545 2_454 ?
O1 Na1 P1 86.3(3) . 2_454 ?
O1 Na1 P1 145.3(4) . 4_544 ?
O1 Na1 Ca2 144.8(3) . 2_454 ?
O1 Na1 Ca2 145.2(3) 5_545 2_454 ?
O1 Na1 Te1 31.9(3) . . ?
O1 Na1 Te1 32.2(3) 5_545 . ?
O1 Na1 O1 58.8(6) . 5_545 ?
O1 Na1 O3 85.5(5) . 3_445 ?
O2 Na1 P1 28.5(3) 4_544 4_544 ?
O2 Na1 P1 147.7(7) 4_544 2_454 ?
O2 Na1 Ca2 81.3(6) 4_544 2_454 ?
O2 Na1 Te1 97.6(6) 4_544 . ?
O2 Na1 O4 56.6(5) 4_544 4_544 ?
O2 Na1 O4 124.4(6) 4_544 2_454 ?
O2 Na1 O1 65.7(6) 4_544 5_545 ?
O2 Na1 O1 122.2(6) 4_544 . ?
O2 Na1 O3 144.4(9) 4_544 2_454 ?
O2 Na1 O3 82.7(7) 4_544 3_445 ?
O3 Na1 P1 144.8(6) 2_454 4_544 ?
O3 Na1 P1 117.1(4) 3_445 2_454 ?
O3 Na1 P1 74.7(4) 3_445 4_544 ?
O3 Na1 P1 28.2(3) 2_454 2_454 ?
O3 Na1 Ca2 126.0(4) 3_445 2_454 ?
O3 Na1 Ca2 77.8(6) 2_454 2_454 ?
O3 Na1 Te1 99.9(6) 2_454 . ?
O3 Na1 Te1 59.9(4) 3_445 . ?
O3 Na1 O1 62.3(4) 3_445 5_545 ?
O3 Na1 O1 68.2(6) 2_454 . ?
O3 Na1 O1 123.6(5) 2_454 5_545 ?
O3 Na1 O3 132.8(7) 2_454 3_445 ?

_olex2_submission_special_instructions 'No special instructions were received'
