# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_A
_database_code_depnum_ccdc_archive 'CCDC 1898824'
_audit_update_record             
;
2019-02-22 deposited with the CCDC.	2019-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B4 Na4 O44 Si8 Sr20'
_chemical_formula_weight         2816.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.670(4)
_cell_length_b                   7.1244(16)
_cell_length_c                   10.897(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.897(6)
_cell_angle_gamma                90
_cell_volume                     1118.4(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4482
_cell_measurement_theta_min      1.9032
_cell_measurement_theta_max      33.1947

_exptl_crystal_description       bulk
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.182
_exptl_crystal_F_000             1288
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    23.999
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7165
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12730
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.828
_diffrn_reflns_theta_max         33.284
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4030
_reflns_number_gt                3652
_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)+(0.0110P)²+6.2826P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00412(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4030
_refine_ls_number_parameters     182
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0641
_refine_ls_wR_factor_gt          0.0618
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_restrained_S_all      1.160
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Sr1 Sr 0.03470(3) 0.44397(5) 0.25506(3) 0.00690(8) Uani 1 1 d . . . . .
Sr2 Sr 0.42386(3) 0.65921(5) -0.13618(3) 0.00766(8) Uani 1 1 d . . . . .
Sr3 Sr 0.11504(3) 0.73024(6) 0.53703(3) 0.00913(8) Uani 1 1 d . . . . .
Sr4 Sr 0.32564(2) 0.50119(5) 0.13338(3) 0.00662(8) Uani 1 1 d . . . . .
Sr5 Sr 0.33650(3) 0.49948(5) -0.44655(3) 0.00700(8) Uani 1 1 d . . . . .
Na1 Na 0.78492(15) 0.8355(3) -0.29892(19) 0.0233(4) Uani 1 1 d . . . . .
Si1 Si 0.56180(7) 0.72231(16) -0.36810(10) 0.00557(19) Uani 1 1 d . . . . .
Si2 Si 0.11109(7) 0.25148(16) 0.02648(10) 0.00577(19) Uani 1 1 d . . . . .
B1 B 0.2156(3) 0.7120(6) -0.1857(4) 0.0074(8) Uani 1 1 d . . . . .
O1 O 0.5897(2) 0.5013(4) -0.3635(3) 0.0093(5) Uani 1 1 d . . . . .
O2 O 0.5856(2) 0.8223(4) -0.4944(3) 0.0094(5) Uani 1 1 d . . . . .
O3 O 0.26685(19) 0.6925(4) -0.0642(3) 0.0092(6) Uani 1 1 d . . . . .
O4 O 0.2609(2) 0.8070(4) 0.2146(3) 0.0090(5) Uani 1 1 d . . . . .
O5 O 0.1640(2) 0.4141(5) 0.1188(3) 0.0119(6) Uani 1 1 d . . . . .
O6 O -0.0381(2) 0.6585(4) 0.0900(3) 0.0111(6) Uani 1 1 d . . . . .
O7 O 0.6264(2) 0.8241(4) -0.2482(3) 0.0108(6) Uani 1 1 d . . . . .
O8 O 0.1808(2) 0.3816(5) -0.5355(3) 0.0142(6) Uani 1 1 d . . . . .
O9 O 0.4519(2) 0.7548(4) -0.3672(3) 0.0100(5) Uani 1 1 d . . . . .
O10 O -0.0541(2) 0.6255(5) 0.3878(3) 0.0144(6) Uani 1 1 d . . . . .
O11 O -0.1210(2) 0.2631(4) 0.2040(3) 0.0100(6) 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
Sr1 O6 2.447(3) . ?
Sr1 O10 2.485(3) . ?
Sr1 O11 2.590(3) . ?
Sr1 O11 2.600(3) 2 ?
Sr1 O5 2.628(3) . ?
Sr1 O6 2.638(3) 2_545 ?
Sr1 O10 2.796(3) 2_545 ?
Sr1 O8 2.855(3) 1_556 ?
Sr1 Si2 3.2243(13) . ?
Sr1 Si2 3.2695(13) 4_566 ?
Sr1 Na1 3.274(2) 3_665 ?
Sr1 Sr3 3.6578(8) 3_566 ?
Sr2 O1 2.445(3) 2_654 ?
Sr2 O2 2.579(3) 4_576 ?
Sr2 O3 2.581(3) . ?
Sr2 O4 2.636(3) 4_575 ?
Sr2 O9 2.714(3) . ?
Sr2 O7 2.735(3) 2_644 ?
Sr2 O2 2.807(3) 2_644 ?
Sr2 O9 2.946(3) 4_576 ?
Sr2 B1 3.024(4) . ?
Sr2 Si1 3.1195(14) 2_644 ?
Sr2 Si1 3.3326(13) 4_576 ?
Sr2 Si1 3.5522(13) . ?
Sr3 O6 2.548(3) 4_576 ?
Sr3 O4 2.613(3) 4_576 ?
Sr3 O11 2.655(3) 2 ?
Sr3 O3 2.722(3) 4_576 ?
Sr3 O5 2.736(3) 4_576 ?
Sr3 O10 2.798(3) . ?
Sr3 O11 2.807(3) 3_566 ?
Sr3 O8 2.831(3) 1_556 ?
Sr3 O10 2.859(3) 3_566 ?
Sr3 B1 3.097(5) 4_576 ?
Sr3 B1 3.104(5) 1_556 ?
Sr3 Si2 3.2616(14) 2 ?
Sr4 O5 2.428(3) . ?
Sr4 O2 2.522(3) 2_644 ?
Sr4 O9 2.542(3) 4_576 ?
Sr4 O3 2.556(3) . ?
Sr4 O1 2.580(3) 3_665 ?
Sr4 O4 2.598(3) . ?
Sr4 O7 2.664(3) 3_665 ?
Sr4 Si1 3.1950(12) 3_665 ?
Sr4 B1 3.446(4) 4_576 ?
Sr4 Na1 3.570(2) 3_665 ?
Sr4 Sr2 3.5873(8) 4_576 ?
Sr4 Si2 3.6113(13) . ?
Sr5 O7 2.434(3) 2_644 ?
Sr5 O8 2.455(3) . ?
Sr5 O1 2.511(3) 3_664 ?
Sr5 O9 2.524(3) . ?
Sr5 O4 2.636(3) 4_575 ?
Sr5 O3 2.647(3) 4_575 ?
Sr5 O2 2.693(3) 3_664 ?
Sr5 Si1 3.1531(12) 3_664 ?
Sr5 Sr2 3.5814(7) 4_575 ?
Sr5 Sr3 3.6153(9) 1_554 ?
Sr5 Si1 3.6203(13) . ?
Na1 O7 2.491(4) . ?
Na1 O8 2.499(4) 3_664 ?
Na1 O5 2.650(4) 3_665 ?
Na1 B1 2.687(5) 2_654 ?
Na1 O10 2.825(4) 4_675 ?
Na1 O4 2.831(4) 3_675 ?
Na1 O3 2.973(4) 2_654 ?
Na1 Si2 3.133(2) 3_665 ?
Na1 Si2 3.204(2) 2_654 ?
Na1 Sr1 3.274(2) 3_665 ?
Na1 Si1 3.317(3) . ?
Na1 Sr4 3.570(2) 3_665 ?
Si1 O1 1.625(3) . ?
Si1 O9 1.630(3) . ?
Si1 O7 1.632(3) . ?
Si1 O2 1.645(3) . ?
Si1 Sr2 3.1195(14) 2_654 ?
Si1 Sr5 3.1531(12) 3_664 ?
Si1 Sr4 3.1950(12) 3_665 ?
Si1 Sr2 3.3326(13) 4_575 ?
Si2 O6 1.629(3) 3_565 ?
Si2 O8 1.631(3) 4_566 ?
Si2 O5 1.632(3) . ?
Si2 O10 1.635(3) 2_545 ?
Si2 Na1 3.133(2) 3_665 ?
Si2 Na1 3.204(2) 2_644 ?
Si2 Sr3 3.2615(14) 2_545 ?
Si2 Sr1 3.2695(13) 4_565 ?
Si2 Sr3 3.4340(14) 4_565 ?
Si2 Sr3 3.6943(15) 4_575 ?
B1 O11 1.375(5) 3_565 ?
B1 O4 1.384(5) 4_575 ?
B1 O3 1.401(5) . ?
B1 Na1 2.687(5) 2_644 ?
B1 Sr3 3.097(4) 4_575 ?
B1 Sr3 3.104(5) 1_554 ?
B1 Sr4 3.446(4) 4_575 ?
O1 Sr2 2.445(3) 2_644 ?
O1 Sr5 2.511(3) 3_664 ?
O1 Sr4 2.580(3) 3_665 ?
O2 Sr4 2.522(3) 2_654 ?
O2 Sr2 2.579(3) 4_575 ?
O2 Sr5 2.693(3) 3_664 ?
O2 Sr2 2.807(3) 2_654 ?
O3 Sr5 2.647(3) 4_576 ?
O3 Sr3 2.722(3) 4_575 ?
O3 Na1 2.973(4) 2_644 ?
O4 B1 1.384(5) 4_576 ?
O4 Sr3 2.613(3) 4_575 ?
O4 Sr2 2.636(3) 4_576 ?
O4 Sr5 2.636(3) 4_576 ?
O4 Na1 2.831(4) 3_675 ?
O5 Na1 2.650(4) 3_665 ?
O5 Sr3 2.736(3) 4_575 ?
O6 Si2 1.630(3) 3_565 ?
O6 Sr3 2.548(3) 4_575 ?
O6 Sr1 2.638(3) 2 ?
O7 Sr5 2.434(3) 2_654 ?
O7 Sr4 2.664(3) 3_665 ?
O7 Sr2 2.735(3) 2_654 ?
O8 Si2 1.631(3) 4_565 ?
O8 Na1 2.499(4) 3_664 ?
O8 Sr3 2.831(3) 1_554 ?
O8 Sr1 2.855(3) 1_554 ?
O9 Sr4 2.542(3) 4_575 ?
O9 Sr2 2.946(3) 4_575 ?
O10 Si2 1.635(3) 2 ?
O10 Sr1 2.796(3) 2 ?
O10 Na1 2.825(4) 4_476 ?
O10 Sr3 2.859(3) 3_566 ?
O11 B1 1.375(5) 3_565 ?
O11 Sr1 2.600(3) 2_545 ?
O11 Sr3 2.655(3) 2_545 ?
O11 Sr3 2.807(3) 3_566 ?

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
O6 Sr1 O10 84.20(10) . . ?
O6 Sr1 O11 84.75(10) . . ?
O10 Sr1 O11 81.15(10) . . ?
O6 Sr1 O11 73.17(10) . 2 ?
O10 Sr1 O11 74.73(10) . 2 ?
O11 Sr1 O11 148.57(10) . 2 ?
O6 Sr1 O5 84.05(10) . . ?
O10 Sr1 O5 152.17(11) . . ?
O11 Sr1 O5 122.65(9) . . ?
O11 Sr1 O5 77.74(9) 2 . ?
O6 Sr1 O6 154.84(5) . 2_545 ?
O10 Sr1 O6 88.68(10) . 2_545 ?
O11 Sr1 O6 70.30(9) . 2_545 ?
O11 Sr1 O6 127.94(9) 2 2_545 ?
O5 Sr1 O6 111.78(10) . 2_545 ?
O6 Sr1 O10 100.00(10) . 2_545 ?
O10 Sr1 O10 150.01(8) . 2_545 ?
O11 Sr1 O10 69.81(9) . 2_545 ?
O11 Sr1 O10 135.06(9) 2 2_545 ?
O5 Sr1 O10 57.31(9) . 2_545 ?
O6 Sr1 O10 74.89(9) 2_545 2_545 ?
O6 Sr1 O8 147.39(10) . 1_556 ?
O10 Sr1 O8 90.70(10) . 1_556 ?
O11 Sr1 O8 126.34(9) . 1_556 ?
O11 Sr1 O8 74.41(9) 2 1_556 ?
O5 Sr1 O8 85.78(9) . 1_556 ?
O6 Sr1 O8 56.48(9) 2_545 1_556 ?
O10 Sr1 O8 100.31(10) 2_545 1_556 ?
O6 Sr1 Si2 82.23(8) . . ?
O10 Sr1 Si2 165.50(8) . . ?
O11 Sr1 Si2 92.49(7) . . ?
O11 Sr1 Si2 105.99(7) 2 . ?
O5 Sr1 Si2 30.25(7) . . ?
O6 Sr1 Si2 101.51(7) 2_545 . ?
O10 Sr1 Si2 30.47(6) 2_545 . ?
O8 Sr1 Si2 103.51(7) 1_556 . ?
O6 Sr1 Si2 163.44(8) . 4_566 ?
O10 Sr1 Si2 79.79(8) . 4_566 ?
O11 Sr1 Si2 96.90(7) . 4_566 ?
O11 Sr1 Si2 98.32(7) 2 4_566 ?
O5 Sr1 Si2 108.42(7) . 4_566 ?
O6 Sr1 Si2 29.63(6) 2_545 4_566 ?
O10 Sr1 Si2 96.01(7) 2_545 4_566 ?
O8 Sr1 Si2 29.92(6) 1_556 4_566 ?
Si2 Sr1 Si2 114.08(3) . 4_566 ?
O6 Sr1 Na1 135.69(8) . 3_665 ?
O10 Sr1 Na1 136.86(8) . 3_665 ?
O11 Sr1 Na1 112.61(8) . 3_665 ?
O11 Sr1 Na1 98.80(8) 2 3_665 ?
O5 Sr1 Na1 51.96(8) . 3_665 ?
O6 Sr1 Na1 61.37(8) 2_545 3_665 ?
O10 Sr1 Na1 54.79(8) 2_545 3_665 ?
O8 Sr1 Na1 47.53(8) 1_556 3_665 ?
Si2 Sr1 Na1 57.64(4) . 3_665 ?
Si2 Sr1 Na1 58.64(4) 4_566 3_665 ?
O6 Sr1 Sr3 115.96(7) . 3_566 ?
O10 Sr1 Sr3 51.23(8) . 3_566 ?
O11 Sr1 Sr3 49.89(7) . 3_566 ?
O11 Sr1 Sr3 121.36(7) 2 3_566 ?
O5 Sr1 Sr3 154.71(7) . 3_566 ?
O6 Sr1 Sr3 44.16(7) 2_545 3_566 ?
O10 Sr1 Sr3 101.87(6) 2_545 3_566 ?
O8 Sr1 Sr3 84.25(6) 1_556 3_566 ?
Si2 Sr1 Sr3 132.16(3) . 3_566 ?
Si2 Sr1 Sr3 55.84(2) 4_566 3_566 ?
Na1 Sr1 Sr3 105.46(4) 3_665 3_566 ?
O1 Sr2 O2 90.86(10) 2_654 4_576 ?
O1 Sr2 O3 80.33(10) 2_654 . ?
O2 Sr2 O3 125.89(9) 4_576 . ?
O1 Sr2 O4 81.04(10) 2_654 4_575 ?
O2 Sr2 O4 171.71(10) 4_576 4_575 ?
O3 Sr2 O4 54.67(9) . 4_575 ?
O1 Sr2 O9 77.01(9) 2_654 . ?
O2 Sr2 O9 105.02(9) 4_576 . ?
O3 Sr2 O9 124.04(9) . . ?
O4 Sr2 O9 71.56(9) 4_575 . ?
O1 Sr2 O7 148.73(9) 2_654 2_644 ?
O2 Sr2 O7 117.26(9) 4_576 2_644 ?
O3 Sr2 O7 92.40(9) . 2_644 ?
O4 Sr2 O7 70.21(9) 4_575 2_644 ?
O9 Sr2 O7 82.34(9) . 2_644 ?
O1 Sr2 O2 147.26(9) 2_654 2_644 ?
O2 Sr2 O2 82.44(10) 4_576 2_644 ?
O3 Sr2 O2 77.98(9) . 2_644 ?
O4 Sr2 O2 105.34(9) 4_575 2_644 ?
O9 Sr2 O2 135.69(9) . 2_644 ?
O7 Sr2 O2 56.77(9) 2_644 2_644 ?
O1 Sr2 O9 77.88(9) 2_654 4_576 ?
O2 Sr2 O9 56.88(8) 4_576 4_576 ?
O3 Sr2 O9 69.10(8) . 4_576 ?
O4 Sr2 O9 122.32(8) 4_575 4_576 ?
O9 Sr2 O9 148.61(6) . 4_576 ?
O7 Sr2 O9 127.93(8) 2_644 4_576 ?
O2 Sr2 O9 71.62(8) 2_644 4_576 ?
O1 Sr2 B1 78.27(11) 2_654 . ?
O2 Sr2 B1 152.24(11) 4_576 . ?
O3 Sr2 B1 27.52(10) . . ?
O4 Sr2 B1 27.20(10) 4_575 . ?
O9 Sr2 B1 97.39(10) . . ?
O7 Sr2 B1 81.44(11) 2_644 . ?
O2 Sr2 B1 92.96(10) 2_644 . ?
O9 Sr2 B1 95.63(10) 4_576 . ?
O1 Sr2 Si1 178.79(7) 2_654 2_644 ?
O2 Sr2 Si1 89.44(7) 4_576 2_644 ?
O3 Sr2 Si1 98.55(7) . 2_644 ?
O4 Sr2 Si1 98.69(7) 4_575 2_644 ?
O9 Sr2 Si1 104.04(7) . 2_644 ?
O7 Sr2 Si1 31.50(6) 2_644 2_644 ?
O2 Sr2 Si1 31.67(6) 2_644 2_644 ?
O9 Sr2 Si1 101.32(6) 4_576 2_644 ?
B1 Sr2 Si1 100.95(9) . 2_644 ?
O1 Sr2 Si1 77.55(7) 2_654 4_576 ?
O2 Sr2 Si1 28.88(7) 4_576 4_576 ?
O3 Sr2 Si1 98.00(7) . 4_576 ?
O4 Sr2 Si1 147.92(7) 4_575 4_576 ?
O9 Sr2 Si1 125.19(7) . 4_576 ?
O7 Sr2 Si1 133.71(6) 2_644 4_576 ?
O2 Sr2 Si1 81.51(6) 2_644 4_576 ?
O9 Sr2 Si1 29.28(6) 4_576 4_576 ?
B1 Sr2 Si1 123.40(9) . 4_576 ?
Si1 Sr2 Si1 102.21(3) 2_644 4_576 ?
O1 Sr2 Si1 85.98(7) 2_654 . ?
O2 Sr2 Si1 80.57(7) 4_576 . ?
O3 Sr2 Si1 149.99(6) . . ?
O4 Sr2 Si1 96.99(7) 4_575 . ?
O9 Sr2 Si1 26.02(6) . . ?
O7 Sr2 Si1 85.58(7) 2_644 . ?
O2 Sr2 Si1 123.94(6) 2_644 . ?
O9 Sr2 Si1 133.65(6) 4_576 . ?
B1 Sr2 Si1 123.34(9) . . ?
Si1 Sr2 Si1 95.22(3) 2_644 . ?
Si1 Sr2 Si1 104.98(3) 4_576 . ?
O6 Sr3 O4 119.82(9) 4_576 4_576 ?
O6 Sr3 O11 113.07(9) 4_576 2 ?
O4 Sr3 O11 124.47(9) 4_576 2 ?
O6 Sr3 O3 148.48(10) 4_576 4_576 ?
O4 Sr3 O3 72.68(9) 4_576 4_576 ?
O11 Sr3 O3 53.04(9) 2 4_576 ?
O6 Sr3 O5 80.00(9) 4_576 4_576 ?
O4 Sr3 O5 74.05(9) 4_576 4_576 ?
O11 Sr3 O5 100.67(9) 2 4_576 ?
O3 Sr3 O5 76.14(9) 4_576 4_576 ?
O6 Sr3 O10 59.47(9) 4_576 . ?
O4 Sr3 O10 156.23(10) 4_576 . ?
O11 Sr3 O10 68.90(9) 2 . ?
O3 Sr3 O10 121.46(9) 4_576 . ?
O5 Sr3 O10 125.83(9) 4_576 . ?
O6 Sr3 O11 68.19(9) 4_576 3_566 ?
O4 Sr3 O11 52.54(9) 4_576 3_566 ?
O11 Sr3 O11 172.97(7) 2 3_566 ?
O3 Sr3 O11 122.10(8) 4_576 3_566 ?
O5 Sr3 O11 72.56(9) 4_576 3_566 ?
O10 Sr3 O11 116.39(9) . 3_566 ?
O6 Sr3 O8 134.21(9) 4_576 1_556 ?
O4 Sr3 O8 80.97(9) 4_576 1_556 ?
O11 Sr3 O8 74.01(9) 2 1_556 ?
O3 Sr3 O8 73.53(9) 4_576 1_556 ?
O5 Sr3 O8 145.22(9) 4_576 1_556 ?
O10 Sr3 O8 85.13(9) . 1_556 ?
O11 Sr3 O8 110.36(9) 3_566 1_556 ?
O6 Sr3 O10 82.75(10) 4_576 3_566 ?
O4 Sr3 O10 87.40(9) 4_576 3_566 ?
O11 Sr3 O10 115.61(9) 2 3_566 ?
O3 Sr3 O10 128.30(9) 4_576 3_566 ?
O5 Sr3 O10 143.57(9) 4_576 3_566 ?
O10 Sr3 O10 68.84(11) . 3_566 ?
O11 Sr3 O10 71.28(9) 3_566 3_566 ?
O8 Sr3 O10 56.18(9) 1_556 3_566 ?
O6 Sr3 B1 134.98(11) 4_576 4_576 ?
O4 Sr3 B1 98.58(11) 4_576 4_576 ?
O11 Sr3 B1 26.25(10) 2 4_576 ?
O3 Sr3 B1 26.89(10) 4_576 4_576 ?
O5 Sr3 B1 89.89(11) 4_576 4_576 ?
O10 Sr3 B1 94.65(10) . 4_576 ?
O11 Sr3 B1 148.96(10) 3_566 4_576 ?
O8 Sr3 B1 70.12(11) 1_556 4_576 ?
O10 Sr3 B1 124.30(11) 3_566 4_576 ?
O6 Sr3 B1 93.98(10) 4_576 1_556 ?
O4 Sr3 B1 26.25(10) 4_576 1_556 ?
O11 Sr3 B1 150.25(11) 2 1_556 ?
O3 Sr3 B1 97.37(10) 4_576 1_556 ?
O5 Sr3 B1 71.00(10) 4_576 1_556 ?
O10 Sr3 B1 139.50(10) . 1_556 ?
O11 Sr3 B1 26.29(10) 3_566 1_556 ?
O8 Sr3 B1 96.36(11) 1_556 1_556 ?
O10 Sr3 B1 78.52(11) 3_566 1_556 ?
B1 Sr3 B1 124.02(14) 4_576 1_556 ?
O6 Sr3 Si2 29.44(7) 4_576 2 ?
O4 Sr3 Si2 145.04(7) 4_576 2 ?
O11 Sr3 Si2 90.48(7) 2 2 ?
O3 Sr3 Si2 141.44(6) 4_576 2 ?
O5 Sr3 Si2 102.69(7) 4_576 2 ?
O10 Sr3 Si2 30.08(6) . 2 ?
O11 Sr3 Si2 92.85(6) 3_566 2 ?
O8 Sr3 Si2 111.59(7) 1_556 2 ?
O10 Sr3 Si2 75.00(7) 3_566 2 ?
B1 Sr3 Si2 116.32(9) 4_576 2 ?
B1 Sr3 Si2 119.04(8) 1_556 2 ?
O5 Sr4 O2 116.14(10) . 2_644 ?
O5 Sr4 O9 151.43(10) . 4_576 ?
O2 Sr4 O9 83.40(10) 2_644 4_576 ?
O5 Sr4 O3 84.91(10) . . ?
O2 Sr4 O3 83.91(10) 2_644 . ?
O9 Sr4 O3 76.30(9) 4_576 . ?
O5 Sr4 O1 110.28(10) . 3_665 ?
O2 Sr4 O1 111.84(9) 2_644 3_665 ?
O9 Sr4 O1 77.87(9) 4_576 3_665 ?
O3 Sr4 O1 147.80(10) . 3_665 ?
O5 Sr4 O4 79.68(10) . . ?
O2 Sr4 O4 153.12(9) 2_644 . ?
O9 Sr4 O4 74.97(9) 4_576 . ?
O3 Sr4 O4 75.69(9) . . ?
O1 Sr4 O4 79.31(9) 3_665 . ?
O5 Sr4 O7 88.66(10) . 3_665 ?
O2 Sr4 O7 73.86(10) 2_644 3_665 ?
O9 Sr4 O7 117.92(9) 4_576 3_665 ?
O3 Sr4 O7 151.22(9) . 3_665 ?
O1 Sr4 O7 60.09(9) 3_665 3_665 ?
O4 Sr4 O7 130.58(9) . 3_665 ?
O5 Sr4 Si1 106.00(8) . 3_665 ?
O2 Sr4 Si1 88.94(7) 2_644 3_665 ?
O9 Sr4 Si1 94.37(7) 4_576 3_665 ?
O3 Sr4 Si1 168.82(7) . 3_665 ?
O1 Sr4 Si1 30.37(7) 3_665 3_665 ?
O4 Sr4 Si1 108.19(7) . 3_665 ?
O7 Sr4 Si1 30.66(6) 3_665 3_665 ?
O5 Sr4 B1 68.34(10) . 4_576 ?
O2 Sr4 B1 173.93(10) 2_644 4_576 ?
O9 Sr4 B1 90.95(10) 4_576 4_576 ?
O3 Sr4 B1 92.62(10) . 4_576 ?
O1 Sr4 B1 68.87(10) 3_665 4_576 ?
O4 Sr4 B1 21.06(10) . 4_576 ?
O7 Sr4 B1 110.96(10) 3_665 4_576 ?
Si1 Sr4 B1 93.71(8) 3_665 4_576 ?
O5 Sr4 Na1 47.91(8) . 3_665 ?
O2 Sr4 Na1 107.41(8) 2_644 3_665 ?
O9 Sr4 Na1 149.54(8) 4_576 3_665 ?
O3 Sr4 Na1 132.12(7) . 3_665 ?
O1 Sr4 Na1 71.67(8) 3_665 3_665 ?
O4 Sr4 Na1 99.28(7) . 3_665 ?
O7 Sr4 Na1 44.20(7) 3_665 3_665 ?
Si1 Sr4 Na1 58.40(4) 3_665 3_665 ?
B1 Sr4 Na1 78.61(9) 4_576 3_665 ?
O5 Sr4 Sr2 118.43(7) . 4_576 ?
O2 Sr4 Sr2 125.23(7) 2_644 4_576 ?
O9 Sr4 Sr2 49.00(7) 4_576 4_576 ?
O3 Sr4 Sr2 104.89(7) . 4_576 ?
O1 Sr4 Sr2 42.97(7) 3_665 4_576 ?
O4 Sr4 Sr2 47.17(6) . 4_576 ?
O7 Sr4 Sr2 102.84(6) 3_665 4_576 ?
Si1 Sr4 Sr2 72.38(3) 3_665 4_576 ?
B1 Sr4 Sr2 50.89(8) 4_576 4_576 ?
Na1 Sr4 Sr2 105.08(4) 3_665 4_576 ?
O5 Sr4 Si2 21.87(7) . . ?
O2 Sr4 Si2 94.28(7) 2_644 . ?
O9 Sr4 Si2 158.04(7) 4_576 . ?
O3 Sr4 Si2 81.74(7) . . ?
O1 Sr4 Si2 122.71(7) 3_665 . ?
O4 Sr4 Si2 99.82(7) . . ?
O7 Sr4 Si2 81.94(7) 3_665 . ?
Si1 Sr4 Si2 107.44(3) 3_665 . ?
B1 Sr4 Si2 90.14(8) 4_576 . ?
Na1 Sr4 Si2 51.72(4) 3_665 . ?
Sr2 Sr4 Si2 140.20(2) 4_576 . ?
O7 Sr5 O8 101.92(10) 2_644 . ?
O7 Sr5 O1 131.10(10) 2_644 3_664 ?
O8 Sr5 O1 100.84(10) . 3_664 ?
O7 Sr5 O9 92.65(10) 2_644 . ?
O8 Sr5 O9 153.62(11) . . ?
O1 Sr5 O9 85.29(10) 3_664 . ?
O7 Sr5 O4 74.96(10) 2_644 4_575 ?
O8 Sr5 O4 87.97(10) . 4_575 ?
O1 Sr5 O4 148.39(10) 3_664 4_575 ?
O9 Sr5 O4 74.61(9) . 4_575 ?
O7 Sr5 O3 148.20(10) 2_644 4_575 ?
O8 Sr5 O3 81.22(10) . 4_575 ?
O1 Sr5 O3 77.87(9) 3_664 4_575 ?
O9 Sr5 O3 74.98(9) . 4_575 ?
O4 Sr5 O3 73.54(9) 4_575 4_575 ?
O7 Sr5 O2 74.72(10) 2_644 3_664 ?
O8 Sr5 O2 91.12(10) . 3_664 ?
O1 Sr5 O2 62.13(9) 3_664 3_664 ?
O9 Sr5 O2 114.07(9) . 3_664 ?
O4 Sr5 O2 148.77(9) 4_575 3_664 ?
O3 Sr5 O2 137.08(9) 4_575 3_664 ?
O7 Sr5 Si1 104.26(8) 2_644 3_664 ?
O8 Sr5 Si1 95.36(8) . 3_664 ?
O1 Sr5 Si1 30.77(7) 3_664 3_664 ?
O9 Sr5 Si1 102.27(7) . 3_664 ?
O4 Sr5 Si1 176.67(7) 4_575 3_664 ?
O3 Sr5 Si1 106.94(7) 4_575 3_664 ?
O2 Sr5 Si1 31.44(6) 3_664 3_664 ?
O7 Sr5 Sr2 49.93(7) 2_644 . ?
O8 Sr5 Sr2 128.59(7) . . ?
O1 Sr5 Sr2 130.42(7) 3_664 . ?
O9 Sr5 Sr2 49.32(7) . . ?
O4 Sr5 Sr2 47.39(6) 4_575 . ?
O3 Sr5 Sr2 103.36(6) 4_575 . ?
O2 Sr5 Sr2 113.91(6) 3_664 . ?
Si1 Sr5 Sr2 129.66(3) 3_664 . ?
O7 Sr5 Sr2 143.72(7) 2_644 4_575 ?
O8 Sr5 Sr2 114.35(8) . 4_575 ?
O1 Sr5 Sr2 43.01(7) 3_664 4_575 ?
O9 Sr5 Sr2 54.42(7) . 4_575 ?
O4 Sr5 Sr2 105.71(7) 4_575 4_575 ?
O3 Sr5 Sr2 45.99(6) 4_575 4_575 ?
O2 Sr5 Sr2 103.05(6) 3_664 4_575 ?
Si1 Sr5 Sr2 72.93(3) 3_664 4_575 ?
Sr2 Sr5 Sr2 103.106(18) . 4_575 ?
O7 Sr5 Sr3 109.11(7) 2_644 1_554 ?
O8 Sr5 Sr3 51.36(8) . 1_554 ?
O1 Sr5 Sr3 118.94(7) 3_664 1_554 ?
O9 Sr5 Sr3 103.16(7) . 1_554 ?
O4 Sr5 Sr3 46.21(6) 4_575 1_554 ?
O3 Sr5 Sr3 48.55(6) 4_575 1_554 ?
O2 Sr5 Sr3 142.48(6) 3_664 1_554 ?
Si1 Sr5 Sr3 136.54(2) 3_664 1_554 ?
Sr2 Sr5 Sr3 93.453(15) . 1_554 ?
Sr2 Sr5 Sr3 94.528(18) 4_575 1_554 ?
O7 Sr5 Si1 88.59(7) 2_644 . ?
O8 Sr5 Si1 169.47(8) . . ?
O1 Sr5 Si1 71.27(7) 3_664 . ?
O9 Sr5 Si1 23.02(7) . . ?
O4 Sr5 Si1 95.37(7) 4_575 . ?
O3 Sr5 Si1 90.13(7) 4_575 . ?
O2 Sr5 Si1 91.15(7) 3_664 . ?
Si1 Sr5 Si1 81.35(3) 3_664 . ?
Sr2 Sr5 Si1 59.214(19) . . ?
Sr2 Sr5 Si1 55.13(2) 4_575 . ?
Sr3 Sr5 Si1 125.74(3) 1_554 . ?
O7 Na1 O8 117.63(13) . 3_664 ?
O7 Na1 O5 87.67(11) . 3_665 ?
O8 Na1 O5 92.96(12) 3_664 3_665 ?
O7 Na1 B1 93.15(13) . 2_654 ?
O8 Na1 B1 124.84(15) 3_664 2_654 ?
O5 Na1 B1 135.50(14) 3_665 2_654 ?
O7 Na1 O10 122.15(12) . 4_675 ?
O8 Na1 O10 109.01(12) 3_664 4_675 ?
O5 Na1 O10 56.73(10) 3_665 4_675 ?
B1 Na1 O10 86.50(13) 2_654 4_675 ?
O7 Na1 O4 70.64(10) . 3_675 ?
O8 Na1 O4 152.09(13) 3_664 3_675 ?
O5 Na1 O4 114.51(11) 3_665 3_675 ?
B1 Na1 O4 28.89(11) 2_654 3_675 ?
O10 Na1 O4 84.00(11) 4_675 3_675 ?
O7 Na1 O3 88.78(11) . 2_654 ?
O8 Na1 O3 103.55(12) 3_664 2_654 ?
O5 Na1 O3 162.84(12) 3_665 2_654 ?
B1 Na1 O3 28.08(11) 2_654 2_654 ?
O10 Na1 O3 112.15(11) 4_675 2_654 ?
O4 Na1 O3 48.68(9) 3_675 2_654 ?
O7 Na1 Si2 95.23(9) . 3_665 ?
O8 Na1 Si2 115.68(11) 3_664 3_665 ?
O5 Na1 Si2 31.39(7) 3_665 3_665 ?
B1 Na1 Si2 104.58(12) 2_654 3_665 ?
O10 Na1 Si2 31.32(7) 4_675 3_665 ?
O4 Na1 Si2 88.48(8) 3_675 3_665 ?
O3 Na1 Si2 132.63(10) 2_654 3_665 ?
O7 Na1 Si2 140.04(11) . 2_654 ?
O8 Na1 Si2 30.13(8) 3_664 2_654 ?
O5 Na1 Si2 109.76(10) 3_665 2_654 ?
B1 Na1 Si2 97.72(12) 2_654 2_654 ?
O10 Na1 Si2 96.90(9) 4_675 2_654 ?
O4 Na1 Si2 126.61(10) 3_675 2_654 ?
O3 Na1 Si2 83.41(8) 2_654 2_654 ?
Si2 Na1 Si2 118.60(7) 3_665 2_654 ?
O7 Na1 Sr1 135.27(11) . 3_665 ?
O8 Na1 Sr1 57.41(8) 3_664 3_665 ?
O5 Na1 Sr1 51.37(7) 3_665 3_665 ?
B1 Na1 Sr1 127.50(12) 2_654 3_665 ?
O10 Na1 Sr1 53.97(8) 4_675 3_665 ?
O4 Na1 Sr1 137.29(10) 3_675 3_665 ?
O3 Na1 Sr1 135.74(9) 2_654 3_665 ?
Si2 Na1 Sr1 60.39(4) 3_665 3_665 ?
Si2 Na1 Sr1 60.62(4) 2_654 3_665 ?
O7 Na1 Si1 28.34(7) . . ?
O8 Na1 Si1 90.59(10) 3_664 . ?
O5 Na1 Si1 97.70(9) 3_665 . ?
B1 Na1 Si1 103.75(12) 2_654 . ?
O10 Na1 Si1 147.41(10) 4_675 . ?
O4 Na1 Si1 90.45(8) 3_675 . ?
O3 Na1 Si1 86.93(8) 2_654 . ?
Si2 Na1 Si1 116.75(7) 3_665 . ?
Si2 Na1 Si1 111.87(7) 2_654 . ?
Sr1 Na1 Si1 128.39(7) 3_665 . ?
O7 Na1 Sr4 48.21(8) . 3_665 ?
O8 Na1 Sr4 96.99(10) 3_664 3_665 ?
O5 Na1 Sr4 42.84(7) 3_665 3_665 ?
B1 Na1 Sr4 134.92(12) 2_654 3_665 ?
O10 Na1 Sr4 95.73(9) 4_675 3_665 ?
O4 Na1 Sr4 106.38(8) 3_675 3_665 ?
O3 Na1 Sr4 136.96(9) 2_654 3_665 ?
Si2 Na1 Sr4 64.82(5) 3_665 3_665 ?
Si2 Na1 Sr4 126.42(7) 2_654 3_665 ?
Sr1 Na1 Sr4 87.10(5) 3_665 3_665 ?
Si1 Na1 Sr4 55.13(4) . 3_665 ?
O1 Si1 O9 112.38(16) . . ?
O1 Si1 O7 107.54(16) . . ?
O9 Si1 O7 110.95(16) . . ?
O1 Si1 O2 110.67(16) . . ?
O9 Si1 O2 108.08(16) . . ?
O7 Si1 O2 107.11(16) . . ?
O1 Si1 Sr2 161.87(12) . 2_654 ?
O9 Si1 Sr2 85.54(11) . 2_654 ?
O7 Si1 Sr2 61.13(11) . 2_654 ?
O2 Si1 Sr2 63.65(11) . 2_654 ?
O1 Si1 Sr5 52.22(10) . 3_664 ?
O9 Si1 Sr5 131.53(12) . 3_664 ?
O7 Si1 Sr5 117.52(12) . 3_664 ?
O2 Si1 Sr5 58.65(11) . 3_664 ?
Sr2 Si1 Sr5 118.09(4) 2_654 3_664 ?
O1 Si1 Sr4 53.39(11) . 3_665 ?
O9 Si1 Sr4 115.34(12) . 3_665 ?
O7 Si1 Sr4 56.39(11) . 3_665 ?
O2 Si1 Sr4 136.56(12) . 3_665 ?
Sr2 Si1 Sr4 117.52(4) 2_654 3_665 ?
Sr5 Si1 Sr4 91.58(3) 3_664 3_665 ?
O1 Si1 Na1 89.82(12) . . ?
O9 Si1 Na1 153.97(12) . . ?
O7 Si1 Na1 46.45(11) . . ?
O2 Si1 Na1 74.22(11) . . ?
Sr2 Si1 Na1 72.12(4) 2_654 . ?
Sr5 Si1 Na1 72.62(4) 3_664 . ?
Sr4 Si1 Na1 66.47(4) 3_665 . ?
O1 Si1 Sr2 112.33(11) . 4_575 ?
O9 Si1 Sr2 62.09(11) . 4_575 ?
O7 Si1 Sr2 138.91(12) . 4_575 ?
O2 Si1 Sr2 49.22(11) . 4_575 ?
Sr2 Si1 Sr2 77.78(3) 2_654 4_575 ?
Sr5 Si1 Sr2 81.25(3) 3_664 4_575 ?
Sr4 Si1 Sr2 164.64(4) 3_665 4_575 ?
Na1 Si1 Sr2 123.18(5) . 4_575 ?
O1 Si1 Sr2 91.69(11) . . ?
O9 Si1 Sr2 46.91(11) . . ?
O7 Si1 Sr2 79.01(11) . . ?
O2 Si1 Sr2 152.87(12) . . ?
Sr2 Si1 Sr2 99.30(3) 2_654 . ?
Sr5 Si1 Sr2 142.61(4) 3_664 . ?
Sr4 Si1 Sr2 69.21(3) 3_665 . ?
Na1 Si1 Sr2 122.65(5) . . ?
Sr2 Si1 Sr2 108.82(4) 4_575 . ?
O1 Si1 Sr5 78.21(11) . . ?
O9 Si1 Sr5 37.26(11) . . ?
O7 Si1 Sr5 138.60(12) . . ?
O2 Si1 Sr5 108.74(11) . . ?
Sr2 Si1 Sr5 119.81(3) 2_654 . ?
Sr5 Si1 Sr5 98.65(3) 3_664 . ?
Sr4 Si1 Sr5 106.33(3) 3_665 . ?
Na1 Si1 Sr5 167.97(5) . . ?
Sr2 Si1 Sr5 61.84(2) 4_575 . ?
Sr2 Si1 Sr5 59.67(2) . . ?
O6 Si2 O8 106.10(16) 3_565 4_566 ?
O6 Si2 O5 111.53(17) 3_565 . ?
O8 Si2 O5 113.97(17) 4_566 . ?
O6 Si2 O10 109.19(17) 3_565 2_545 ?
O8 Si2 O10 110.23(18) 4_566 2_545 ?
O5 Si2 O10 105.80(17) . 2_545 ?
O6 Si2 Na1 161.20(13) 3_565 3_665 ?
O8 Si2 Na1 92.65(13) 4_566 3_665 ?
O5 Si2 Na1 57.75(12) . 3_665 ?
O10 Si2 Na1 63.90(12) 2_545 3_665 ?
O6 Si2 Na1 70.29(12) 3_565 2_644 ?
O8 Si2 Na1 50.28(13) 4_566 2_644 ?
O5 Si2 Na1 95.99(12) . 2_644 ?
O10 Si2 Na1 156.16(14) 2_545 2_644 ?
Na1 Si2 Na1 123.55(8) 3_665 2_644 ?
O6 Si2 Sr1 99.27(12) 3_565 . ?
O8 Si2 Sr1 154.63(12) 4_566 . ?
O5 Si2 Sr1 54.23(11) . . ?
O10 Si2 Sr1 60.13(12) 2_545 . ?
Na1 Si2 Sr1 61.98(4) 3_665 . ?
Na1 Si2 Sr1 143.54(6) 2_644 . ?
O6 Si2 Sr3 50.24(11) 3_565 2_545 ?
O8 Si2 Sr3 125.23(13) 4_566 2_545 ?
O5 Si2 Sr3 120.63(12) . 2_545 ?
O10 Si2 Sr3 59.07(12) 2_545 2_545 ?
Na1 Si2 Sr3 119.04(5) 3_665 2_545 ?
Na1 Si2 Sr3 117.28(5) 2_644 2_545 ?
Sr1 Si2 Sr3 72.28(3) . 2_545 ?
O6 Si2 Sr1 53.17(11) 3_565 4_565 ?
O8 Si2 Sr1 60.81(12) 4_566 4_565 ?
O5 Si2 Sr1 154.45(12) . 4_565 ?
O10 Si2 Sr1 99.10(12) 2_545 4_565 ?
Na1 Si2 Sr1 142.68(6) 3_665 4_565 ?
Na1 Si2 Sr1 60.75(5) 2_644 4_565 ?
Sr1 Si2 Sr1 140.38(4) . 4_565 ?
Sr3 Si2 Sr1 68.12(2) 2_545 4_565 ?
O6 Si2 Sr3 115.06(12) 3_565 4_565 ?
O8 Si2 Sr3 54.90(12) 4_566 4_565 ?
O5 Si2 Sr3 133.32(12) . 4_565 ?
O10 Si2 Sr3 55.91(12) 2_545 4_565 ?
Na1 Si2 Sr3 76.61(5) 3_665 4_565 ?
Na1 Si2 Sr3 101.84(5) 2_644 4_565 ?
Sr1 Si2 Sr3 113.91(3) . 4_565 ?
Sr3 Si2 Sr3 88.32(3) 2_545 4_565 ?
Sr1 Si2 Sr3 66.76(2) 4_565 4_565 ?
O6 Si2 Sr4 117.52(12) 3_565 . ?
O8 Si2 Sr4 81.01(12) 4_566 . ?
O5 Si2 Sr4 33.65(11) . . ?
O10 Si2 Sr4 126.52(12) 2_545 . ?
Na1 Si2 Sr4 63.46(5) 3_665 . ?
Na1 Si2 Sr4 69.15(5) 2_644 . ?
Sr1 Si2 Sr4 87.15(3) . . ?
Sr3 Si2 Sr4 151.73(4) 2_545 . ?
Sr1 Si2 Sr4 129.08(3) 4_565 . ?
Sr3 Si2 Sr4 118.25(3) 4_565 . ?
O6 Si2 Sr3 68.61(12) 3_565 4_575 ?
O8 Si2 Sr3 125.91(13) 4_566 4_575 ?
O5 Si2 Sr3 42.95(12) . 4_575 ?
O10 Si2 Sr3 122.51(13) 2_545 4_575 ?
Na1 Si2 Sr3 99.58(5) 3_665 4_575 ?
Na1 Si2 Sr3 80.23(5) 2_644 4_575 ?
Sr1 Si2 Sr3 63.67(2) . 4_575 ?
Sr3 Si2 Sr3 93.57(3) 2_545 4_575 ?
Sr1 Si2 Sr3 117.03(3) 4_565 4_575 ?
Sr3 Si2 Sr3 176.18(4) 4_565 4_575 ?
Sr4 Si2 Sr3 59.34(2) . 4_575 ?
O11 B1 O4 121.4(4) 3_565 4_575 ?
O11 B1 O3 119.8(4) 3_565 . ?
O4 B1 O3 118.7(4) 4_575 . ?
O11 B1 Na1 97.4(3) 3_565 2_644 ?
O4 B1 Na1 81.3(2) 4_575 2_644 ?
O3 B1 Na1 87.4(2) . 2_644 ?
O11 B1 Sr2 178.1(3) 3_565 . ?
O4 B1 Sr2 60.6(2) 4_575 . ?
O3 B1 Sr2 58.33(19) . . ?
Na1 B1 Sr2 82.97(13) 2_644 . ?
O11 B1 Sr3 58.6(2) 3_565 4_575 ?
O4 B1 Sr3 178.0(3) 4_575 4_575 ?
O3 B1 Sr3 61.5(2) . 4_575 ?
Na1 B1 Sr3 100.68(14) 2_644 4_575 ?
Sr2 B1 Sr3 119.44(14) . 4_575 ?
O11 B1 Sr3 64.7(2) 3_565 1_554 ?
O4 B1 Sr3 56.7(2) 4_575 1_554 ?
O3 B1 Sr3 174.7(3) . 1_554 ?
Na1 B1 Sr3 89.19(14) 2_644 1_554 ?
Sr2 B1 Sr3 117.19(14) . 1_554 ?
Sr3 B1 Sr3 123.26(14) 4_575 1_554 ?
O11 B1 Sr4 114.2(3) 3_565 4_575 ?
O4 B1 Sr4 42.45(19) 4_575 4_575 ?
O3 B1 Sr4 112.0(3) . 4_575 ?
Na1 B1 Sr4 123.51(16) 2_644 4_575 ?
Sr2 B1 Sr4 66.98(9) . 4_575 ?
Sr3 B1 Sr4 135.55(15) 4_575 4_575 ?
Sr3 B1 Sr4 66.80(9) 1_554 4_575 ?
Si1 O1 Sr2 161.04(17) . 2_644 ?
Si1 O1 Sr5 97.01(13) . 3_664 ?
Sr2 O1 Sr5 92.53(10) 2_644 3_664 ?
Si1 O1 Sr4 96.24(13) . 3_665 ?
Sr2 O1 Sr4 91.06(9) 2_644 3_665 ?
Sr5 O1 Sr4 126.72(12) 3_664 3_665 ?
Si1 O2 Sr4 159.55(17) . 2_654 ?
Si1 O2 Sr2 101.90(14) . 4_575 ?
Sr4 O2 Sr2 97.78(10) 2_654 4_575 ?
Si1 O2 Sr5 89.91(13) . 3_664 ?
Sr4 O2 Sr5 89.79(9) 2_654 3_664 ?
Sr2 O2 Sr5 106.52(11) 4_575 3_664 ?
Si1 O2 Sr2 84.68(12) . 2_654 ?
Sr4 O2 Sr2 87.30(9) 2_654 2_654 ?
Sr2 O2 Sr2 97.56(10) 4_575 2_654 ?
Sr5 O2 Sr2 155.92(12) 3_664 2_654 ?
B1 O3 Sr4 152.2(3) . . ?
B1 O3 Sr2 94.2(2) . . ?
Sr4 O3 Sr2 91.65(9) . . ?
B1 O3 Sr5 117.7(3) . 4_576 ?
Sr4 O3 Sr5 89.79(9) . 4_576 ?
Sr2 O3 Sr5 86.47(9) . 4_576 ?
B1 O3 Sr3 91.6(2) . 4_575 ?
Sr4 O3 Sr3 86.46(8) . 4_575 ?
Sr2 O3 Sr3 170.91(13) . 4_575 ?
Sr5 O3 Sr3 84.64(9) 4_576 4_575 ?
B1 O3 Na1 64.5(2) . 2_644 ?
Sr4 O3 Na1 88.86(10) . 2_644 ?
Sr2 O3 Na1 85.81(9) . 2_644 ?
Sr5 O3 Na1 172.12(12) 4_576 2_644 ?
Sr3 O3 Na1 103.02(10) 4_575 2_644 ?
B1 O4 Sr4 116.5(3) 4_576 . ?
B1 O4 Sr3 97.1(2) 4_576 4_575 ?
Sr4 O4 Sr3 87.90(9) . 4_575 ?
B1 O4 Sr2 92.2(2) 4_576 4_576 ?
Sr4 O4 Sr2 86.53(9) . 4_576 ?
Sr3 O4 Sr2 170.53(12) 4_575 4_576 ?
B1 O4 Sr5 154.1(3) 4_576 4_576 ?
Sr4 O4 Sr5 89.12(9) . 4_576 ?
Sr3 O4 Sr5 87.06(9) 4_575 4_576 ?
Sr2 O4 Sr5 85.21(9) 4_576 4_576 ?
B1 O4 Na1 69.8(2) 4_576 3_675 ?
Sr4 O4 Na1 171.66(13) . 3_675 ?
Sr3 O4 Na1 96.91(10) 4_575 3_675 ?
Sr2 O4 Na1 87.77(10) 4_576 3_675 ?
Sr5 O4 Na1 84.35(10) 4_576 3_675 ?
Si2 O5 Sr4 124.49(16) . . ?
Si2 O5 Sr1 95.53(13) . . ?
Sr4 O5 Sr1 137.97(13) . . ?
Si2 O5 Na1 90.86(15) . 3_665 ?
Sr4 O5 Na1 89.25(11) . 3_665 ?
Sr1 O5 Na1 76.67(9) . 3_665 ?
Si2 O5 Sr3 113.07(15) . 4_575 ?
Sr4 O5 Sr3 88.71(10) . 4_575 ?
Sr1 O5 Sr3 86.35(9) . 4_575 ?
Na1 O5 Sr3 152.01(13) 3_665 4_575 ?
Si2 O6 Sr1 161.73(18) 3_565 . ?
Si2 O6 Sr3 100.32(14) 3_565 4_575 ?
Sr1 O6 Sr3 94.59(10) . 4_575 ?
Si2 O6 Sr1 97.20(14) 3_565 2 ?
Sr1 O6 Sr1 93.34(10) . 2 ?
Sr3 O6 Sr1 89.69(10) 4_575 2 ?
Si1 O7 Sr5 157.89(18) . 2_654 ?
Si1 O7 Na1 105.21(15) . . ?
Sr5 O7 Na1 96.44(11) 2_654 . ?
Si1 O7 Sr4 92.94(14) . 3_665 ?
Sr5 O7 Sr4 92.36(10) 2_654 3_665 ?
Na1 O7 Sr4 87.59(11) . 3_665 ?
Si1 O7 Sr2 87.37(12) . 2_654 ?
Sr5 O7 Sr2 87.13(10) 2_654 2_654 ?
Na1 O7 Sr2 92.92(11) . 2_654 ?
Sr4 O7 Sr2 179.32(13) 3_665 2_654 ?
Si2 O8 Sr5 130.14(17) 4_565 . ?
Si2 O8 Na1 99.60(16) 4_565 3_664 ?
Sr5 O8 Na1 101.38(12) . 3_664 ?
Si2 O8 Sr3 96.97(14) 4_565 1_554 ?
Sr5 O8 Sr3 86.00(10) . 1_554 ?
Na1 O8 Sr3 150.51(14) 3_664 1_554 ?
Si2 O8 Sr1 89.27(13) 4_565 1_554 ?
Sr5 O8 Sr1 139.83(13) . 1_554 ?
Na1 O8 Sr1 75.06(10) 3_664 1_554 ?
Sr3 O8 Sr1 80.96(9) 1_554 1_554 ?
Si1 O9 Sr5 119.73(15) . . ?
Si1 O9 Sr4 145.00(17) . 4_575 ?
Sr5 O9 Sr4 92.96(10) . 4_575 ?
Si1 O9 Sr2 107.06(14) . . ?
Sr5 O9 Sr2 85.83(9) . . ?
Sr4 O9 Sr2 86.03(9) 4_575 . ?
Si1 O9 Sr2 88.63(12) . 4_575 ?
Sr5 O9 Sr2 81.41(8) . 4_575 ?
Sr4 O9 Sr2 84.00(8) 4_575 4_575 ?
Sr2 O9 Sr2 163.34(12) . 4_575 ?
Si2 O10 Sr1 178.1(2) 2 . ?
Si2 O10 Sr1 89.40(14) 2 2 ?
Sr1 O10 Sr1 88.78(10) . 2 ?
Si2 O10 Sr3 90.85(14) 2 . ?
Sr1 O10 Sr3 88.43(10) . . ?
Sr1 O10 Sr3 86.28(10) 2 . ?
Si2 O10 Na1 84.78(14) 2 4_476 ?
Sr1 O10 Na1 95.20(11) . 4_476 ?
Sr1 O10 Na1 71.24(9) 2 4_476 ?
Sr3 O10 Na1 157.10(14) . 4_476 ?
Si2 O10 Sr3 95.82(14) 2 3_566 ?
Sr1 O10 Sr3 86.10(10) . 3_566 ?
Sr1 O10 Sr3 161.64(13) 2 3_566 ?
Sr3 O10 Sr3 111.16(11) . 3_566 ?
Na1 O10 Sr3 91.66(11) 4_476 3_566 ?
B1 O11 Sr1 142.3(3) 3_565 . ?
B1 O11 Sr1 125.7(3) 3_565 2_545 ?
Sr1 O11 Sr1 90.98(9) . 2_545 ?
B1 O11 Sr3 95.1(2) 3_565 2_545 ?
Sr1 O11 Sr3 93.66(9) . 2_545 ?
Sr1 O11 Sr3 89.24(9) 2_545 2_545 ?
B1 O11 Sr3 89.0(2) 3_565 3_566 ?
Sr1 O11 Sr3 85.23(9) . 3_566 ?
Sr1 O11 Sr3 85.44(9) 2_545 3_566 ?
Sr3 O11 Sr3 174.54(13) 2_545 3_566 ?

_refine_diff_density_max         1.111
_refine_diff_density_min         -1.303
_refine_diff_density_rms         0.243

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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 1937684'
_audit_update_record             
;
2019-07-01 deposited with the CCDC.	2019-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B4 O14 Sr5 Te'
_chemical_formula_weight         832.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Sr Sr -1.5307 3.2498 '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'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/m n c'

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

_cell_length_a                   7.6005(3)
_cell_length_b                   7.6005(3)
_cell_length_c                   10.4006(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     600.82(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1327
_cell_measurement_theta_min      3.2950
_cell_measurement_theta_max      29.2730

_exptl_crystal_description       bulk
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             748
_exptl_absorpt_coefficient_mu    24.514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.53257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  SuperNova
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3897
_diffrn_reflns_av_R_equivalents  0.0877
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.32
_diffrn_reflns_theta_max         29.42
_reflns_number_total             430
_reflns_number_gt                357
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0366P)²+0.5502P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0075(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         430
_refine_ls_number_parameters     35
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0810
_refine_ls_wR_factor_gt          0.0747
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.33005(6) 0.16995(6) 0.2500 0.0155(3) Uani 1 2 d S . .
Sr2 Sr 0.0000 0.0000 0.0000 0.0133(3) Uani 1 8 d S . .
Te1 Te 0.5000 0.5000 0.0000 0.0106(3) Uani 1 8 d S . .
B1 B 0.1377(8) 0.3664(8) 0.0000 0.0090(13) Uani 1 2 d S . .
O1 O 0.0939(3) 0.2987(4) 0.1140(2) 0.0168(6) Uani 1 1 d . . .
O2 O 0.2438(5) 0.5266(5) 0.0000 0.0183(9) Uani 1 2 d S . .
O3 O 0.5000 0.5000 0.1792(5) 0.0194(12) Uani 1 4 d S . .


_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
Te1 O3 1.864(5) . ?
Te1 O3 1.864(5) 9_665 ?
Te1 O2 1.958(4) 10_565 ?
Te1 O2 1.958(4) 9_665 ?
Te1 O2 1.958(4) 2_655 ?
Te1 O2 1.958(4) . ?
B1 O1 1.335(4) 11 ?
B1 O1 1.335(4) . ?
B1 O2 1.461(6) . ?

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
O3 Te1 O3 180.0 . 9_665 ?
O3 Te1 O2 90.0 . 10_565 ?
O3 Te1 O2 90.0 9_665 10_565 ?
O3 Te1 O2 90.0 . 9_665 ?
O3 Te1 O2 90.0 9_665 9_665 ?
O2 Te1 O2 90.0 10_565 9_665 ?
O3 Te1 O2 90.0 . 2_655 ?
O3 Te1 O2 90.0 9_665 2_655 ?
O2 Te1 O2 180.0 10_565 2_655 ?
O2 Te1 O2 90.0 9_665 2_655 ?
O3 Te1 O2 90.0 . . ?
O3 Te1 O2 90.0 9_665 . ?
O2 Te1 O2 90.0 10_565 . ?
O2 Te1 O2 180.0 9_665 . ?
O2 Te1 O2 90.0 2_655 . ?
O1 B1 O1 125.3(5) 11 . ?
O1 B1 O2 117.3(2) 11 . ?
O1 B1 O2 117.3(2) . . ?
B1 O2 Te1 117.6(4) . . ?

_diffrn_measured_fraction_theta_max 0.962
_diffrn_reflns_theta_full        29.42
_diffrn_measured_fraction_theta_full 0.962
_refine_diff_density_max         1.039
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.224
