# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1919658'
loop_
_audit_author_name
_audit_author_address
'Pavel E. Kazin'
;Department of Chemistry, Moscow State University
Russia
;
_audit_update_record             
;
2019-05-30 deposited with the CCDC.	2019-07-18 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     Sr10(PO4)6(Cu0.476O0.83H(0.18-delta))2
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Cu0.476 O12.83 P3 Sr5'
_chemical_formula_weight         766.6
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_Int_Tables_number      176

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,z+1/2
5 y,-x+y,z+1/2
6 x-y,x,z+1/2
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 x,y,-z+1/2
11 -y,x-y,-z+1/2
12 -x+y,-x,-z+1/2

_cell_length_a                   9.7993(4)
_cell_length_b                   9.7993(4)
_cell_length_c                   7.2938(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     606.56(6)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            2

_cell_measurement_reflns_used    13445
_cell_measurement_theta_min      3.68
_cell_measurement_theta_max      32.86
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    4.1972
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             703

_exptl_absorpt_coefficient_mu    23.118
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          0.1
_exptl_crystal_colour            blue-violet
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.0512
_exptl_absorpt_correction_T_max  0.0833
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  'Bruker SMART APEX II diffractometer'
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            8162
_diffrn_reflns_theta_min         3.69
_diffrn_reflns_theta_max         32.88
_diffrn_reflns_theta_full        32.88
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measured_fraction_theta_full 0.98
_diffrn_reflns_av_R_equivalents  0.1449
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
Refinement of F against ALL reflections.  The weighted R-factors wR and
 goodness of fit S are based on F, conventional R-factors R are based
 on F. The threshold expression of F² > 3sigma(F²) is used only for
 calculating R-factors(gt) etc. and is not relevant to the choice of
 reflections for refinement. Hydrogen atoms are not included into the refinement. The expected number of hydrogen atoms is below 0.36 per unit cell.
;

_reflns_number_total             789
_reflns_number_gt                523
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0262
_refine_ls_wR_factor_gt          0.0254
_refine_ls_R_factor_all          0.0537
_refine_ls_wR_factor_ref         0.0278
_refine_ls_goodness_of_fit_ref   0.97
_refine_ls_goodness_of_fit_gt    1.10
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         789
_refine_ls_number_parameters     44
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0439
_refine_ls_shift/su_mean         0.0060
_refine_diff_density_max         1.49
_refine_diff_density_min         -1.97
_refine_ls_extinction_method     
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef       1590(70)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu 0.3201 1.2651 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
P 0.1023 0.0942 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Sr -1.5307 3.2498 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.666667 0.333333 -0.00016(9) Uani 0.01161(14) 4 1 d . . .
Sr2 Sr 0.24697(6) -0.01423(6) 0.25 Uani 0.01276(18) 6 1 d . . .
P1 P 0.59937(17) 0.63235(16) -0.25 Uani 0.0093(4) 6 1 d . . .
O1 O 0.6654(5) 0.5183(5) -0.25 Uani 0.0144(15) 6 1 d . . .
O2 O 0.7365(4) 0.0855(4) 0.0783(5) Uani 0.0194(11) 12 1 d . . .
O3 O 0.5383(5) 0.1205(5) 0.25 Uani 0.0193(16) 6 1 d . . .
O4 O 0 0 0.25 Uani 0.030(4) 2 0.83(4) d . . .
Cu Cu 0 0 0 Uani 0.0124(7) 2 0.476(7) d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sr1 Sr1 . 7_655 5.6575 ?
Sr1 Sr1 . 7_665 5.6575 ?
Sr1 Sr1 . 7_765 5.6575 ?
Sr1 Sr1 . 10_554 3.6447(9) ?
Sr1 Sr1 . 10_555 3.6493(9) ?
Sr1 Sr2 . . 4.2232(5) ?
Sr1 Sr2 . 2_655 4.2232(7) ?
Sr1 Sr2 . 3_665 4.2232(7) ?
Sr1 Sr2 . 4_654 4.0572(7) ?
Sr1 Sr2 . 5_664 4.0572(6) ?
Sr1 Sr2 . 6_554 4.0572(8) ?
Sr1 P1 . . 3.7780(17) ?
Sr1 P1 . 2_655 3.7780(14) ?
Sr1 P1 . 3_665 3.778(2) ?
Sr1 P1 . 4_665 3.3340(16) ?
Sr1 P1 . 5_555 3.334(2) ?
Sr1 P1 . 6_655 3.3340(13) ?
Sr1 O1 . . 2.575(4) ?
Sr1 O1 . 2_655 2.575(3) ?
Sr1 O1 . 3_665 2.575(5) ?
Sr1 O2 . . 2.890(4) ?
Sr1 O2 . 2_655 2.890(4) ?
Sr1 O2 . 3_665 2.890(5) ?
Sr1 O3 . . 2.576(3) ?
Sr1 O3 . 2_655 2.576(3) ?
Sr1 O3 . 3_665 2.576(5) ?
Sr2 Sr2 . 2_555 4.3175(11) ?
Sr2 Sr2 . 3_555 4.3175(9) ?
Sr2 Sr2 . 5_554 4.4175(4) ?
Sr2 Sr2 . 5_555 4.4175(4) ?
Sr2 Sr2 . 6_554 4.4175(5) ?
Sr2 Sr2 . 6_555 4.4175(5) ?
Sr2 P1 . 2_655 3.8665(7) ?
Sr2 P1 . 2_656 3.8665(7) ?
Sr2 P1 . 4_665 3.2613(15) ?
Sr2 P1 . 5_555 3.5676(19) ?
Sr2 P1 . 6_545 3.3874(14) ?
Sr2 O1 . 6_545 2.783(5) ?
Sr2 O2 . 3_665 2.693(3) ?
Sr2 O2 . 4_655 2.522(3) ?
Sr2 O2 . 7_655 2.522(3) ?
Sr2 O2 . 12_665 2.693(3) ?
Sr2 O3 . . 2.474(5) ?
Sr2 O4 . . 2.4927(7) ?
Sr2 Cu . . 3.0885(6) ?
Sr2 Cu . 4_555 3.0885(6) ?
P1 O1 . . 1.546(6) ?
P1 O2 . 6_554 1.533(3) ?
P1 O2 . 9_555 1.533(3) ?
P1 O3 . 6_554 1.542(6) ?
O4 Cu . . 1.8235 ?
O4 Cu . 4_555 1.8235 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Sr1 Sr1 Sr1 7_655 . 7_665 120 ?
Sr1 Sr1 Sr1 7_655 . 7_765 120 ?
Sr1 Sr1 Sr1 7_655 . 10_554 90.024(9) ?
Sr1 Sr1 Sr1 7_655 . 10_555 89.976(9) ?
Sr1 Sr1 Sr2 7_655 . . 45.687(9) ?
Sr1 Sr1 Sr2 7_655 . 2_655 81.656(10) ?
Sr1 Sr1 Sr2 7_655 . 3_665 147.476(14) ?
Sr1 Sr1 Sr2 7_655 . 4_654 48.144(7) ?
Sr1 Sr1 Sr2 7_655 . 5_664 148.025(16) ?
Sr1 Sr1 Sr2 7_655 . 6_554 79.604(9) ?
Sr1 Sr1 P1 7_655 . . 132.210(18) ?
Sr1 Sr1 P1 7_655 . 2_655 34.65(3) ?
Sr1 Sr1 P1 7_655 . 3_665 98.71(2) ?
Sr1 Sr1 P1 7_655 . 4_665 95.00(2) ?
Sr1 Sr1 P1 7_655 . 5_555 40.115(19) ?
Sr1 Sr1 P1 7_655 . 6_655 132.61(3) ?
Sr1 Sr1 O1 7_655 . . 127.58(7) ?
Sr1 Sr1 O1 7_655 . 2_655 52.15(12) ?
Sr1 Sr1 O1 7_655 . 3_665 90.26(9) ?
Sr1 Sr1 O2 7_655 . . 43.31(5) ?
Sr1 Sr1 O2 7_655 . 2_655 158.84(10) ?
Sr1 Sr1 O2 7_655 . 3_665 78.16(7) ?
Sr1 Sr1 O3 7_655 . . 45.47(7) ?
Sr1 Sr1 O3 7_655 . 2_655 106.12(15) ?
Sr1 Sr1 O3 7_655 . 3_665 115.00(9) ?
Sr1 Sr1 Sr1 7_665 . 7_765 120 ?
Sr1 Sr1 Sr1 7_665 . 10_554 90.024(9) ?
Sr1 Sr1 Sr1 7_665 . 10_555 89.976(9) ?
Sr1 Sr1 Sr2 7_665 . . 81.655(10) ?
Sr1 Sr1 Sr2 7_665 . 2_655 147.476(15) ?
Sr1 Sr1 Sr2 7_665 . 3_665 45.687(11) ?
Sr1 Sr1 Sr2 7_665 . 4_654 148.025(15) ?
Sr1 Sr1 Sr2 7_665 . 5_664 79.604(12) ?
Sr1 Sr1 Sr2 7_665 . 6_554 48.143(10) ?
Sr1 Sr1 P1 7_665 . . 34.65(2) ?
Sr1 Sr1 P1 7_665 . 2_655 98.71(4) ?
Sr1 Sr1 P1 7_665 . 3_665 132.21(3) ?
Sr1 Sr1 P1 7_665 . 4_665 40.11(2) ?
Sr1 Sr1 P1 7_665 . 5_555 132.61(3) ?
Sr1 Sr1 P1 7_665 . 6_655 95.00(4) ?
Sr1 Sr1 O1 7_665 . . 52.15(10) ?
Sr1 Sr1 O1 7_665 . 2_655 90.26(16) ?
Sr1 Sr1 O1 7_665 . 3_665 127.58(12) ?
Sr1 Sr1 O2 7_665 . . 158.84(6) ?
Sr1 Sr1 O2 7_665 . 2_655 78.16(10) ?
Sr1 Sr1 O2 7_665 . 3_665 43.31(7) ?
Sr1 Sr1 O3 7_665 . . 106.12(14) ?
Sr1 Sr1 O3 7_665 . 2_655 115.00(17) ?
Sr1 Sr1 O3 7_665 . 3_665 45.47(13) ?
Sr1 Sr1 Sr1 7_765 . 10_554 90.024(9) ?
Sr1 Sr1 Sr1 7_765 . 10_555 89.976(9) ?
Sr1 Sr1 Sr2 7_765 . . 147.476(14) ?
Sr1 Sr1 Sr2 7_765 . 2_655 45.687(8) ?
Sr1 Sr1 Sr2 7_765 . 3_665 81.656(11) ?
Sr1 Sr1 Sr2 7_765 . 4_654 79.604(8) ?
Sr1 Sr1 Sr2 7_765 . 5_664 48.144(10) ?
Sr1 Sr1 Sr2 7_765 . 6_554 148.025(14) ?
Sr1 Sr1 P1 7_765 . . 98.71(2) ?
Sr1 Sr1 P1 7_765 . 2_655 132.21(3) ?
Sr1 Sr1 P1 7_765 . 3_665 34.653(16) ?
Sr1 Sr1 P1 7_765 . 4_665 132.61(2) ?
Sr1 Sr1 P1 7_765 . 5_555 95.00(2) ?
Sr1 Sr1 P1 7_765 . 6_655 40.11(3) ?
Sr1 Sr1 O1 7_765 . . 90.26(9) ?
Sr1 Sr1 O1 7_765 . 2_655 127.58(10) ?
Sr1 Sr1 O1 7_765 . 3_665 52.15(9) ?
Sr1 Sr1 O2 7_765 . . 78.16(5) ?
Sr1 Sr1 O2 7_765 . 2_655 43.31(10) ?
Sr1 Sr1 O2 7_765 . 3_665 158.84(7) ?
Sr1 Sr1 O3 7_765 . . 115.00(11) ?
Sr1 Sr1 O3 7_765 . 2_655 45.47(7) ?
Sr1 Sr1 O3 7_765 . 3_665 106.12(12) ?
Sr1 Sr1 Sr1 10_554 . 10_555 180.0(5) ?
Sr1 Sr1 Sr2 10_554 . . 115.598(8) ?
Sr1 Sr1 Sr2 10_554 . 2_655 115.598(9) ?
Sr1 Sr1 Sr2 10_554 . 3_665 115.598(9) ?
Sr1 Sr1 Sr2 10_554 . 4_654 63.310(9) ?
Sr1 Sr1 Sr2 10_554 . 5_664 63.310(9) ?
Sr1 Sr1 Sr2 10_554 . 6_554 63.310(10) ?
Sr1 Sr1 P1 10_554 . . 61.160(16) ?
Sr1 Sr1 P1 10_554 . 2_655 61.160(14) ?
Sr1 Sr1 P1 10_554 . 3_665 61.160(19) ?
Sr1 Sr1 P1 10_554 . 4_665 123.18(2) ?
Sr1 Sr1 P1 10_554 . 5_555 123.18(2) ?
Sr1 Sr1 P1 10_554 . 6_655 123.182(17) ?
Sr1 Sr1 O1 10_554 . . 44.94(8) ?
Sr1 Sr1 O1 10_554 . 2_655 44.94(6) ?
Sr1 Sr1 O1 10_554 . 3_665 44.94(11) ?
Sr1 Sr1 O2 10_554 . . 101.41(7) ?
Sr1 Sr1 O2 10_554 . 2_655 101.41(7) ?
Sr1 Sr1 O2 10_554 . 3_665 101.41(7) ?
Sr1 Sr1 O3 10_554 . . 135.09(6) ?
Sr1 Sr1 O3 10_554 . 2_655 135.09(7) ?
Sr1 Sr1 O3 10_554 . 3_665 135.09(12) ?
Sr1 Sr1 Sr2 10_555 . . 64.402(8) ?
Sr1 Sr1 Sr2 10_555 . 2_655 64.402(9) ?
Sr1 Sr1 Sr2 10_555 . 3_665 64.402(9) ?
Sr1 Sr1 Sr2 10_555 . 4_654 116.690(9) ?
Sr1 Sr1 Sr2 10_555 . 5_664 116.690(9) ?
Sr1 Sr1 Sr2 10_555 . 6_554 116.690(10) ?
Sr1 Sr1 P1 10_555 . . 118.840(16) ?
Sr1 Sr1 P1 10_555 . 2_655 118.840(14) ?
Sr1 Sr1 P1 10_555 . 3_665 118.840(19) ?
Sr1 Sr1 P1 10_555 . 4_665 56.82(2) ?
Sr1 Sr1 P1 10_555 . 5_555 56.82(2) ?
Sr1 Sr1 P1 10_555 . 6_655 56.818(17) ?
Sr1 Sr1 O1 10_555 . . 135.06(8) ?
Sr1 Sr1 O1 10_555 . 2_655 135.06(6) ?
Sr1 Sr1 O1 10_555 . 3_665 135.06(11) ?
Sr1 Sr1 O2 10_555 . . 78.59(7) ?
Sr1 Sr1 O2 10_555 . 2_655 78.59(7) ?
Sr1 Sr1 O2 10_555 . 3_665 78.59(7) ?
Sr1 Sr1 O3 10_555 . . 44.91(6) ?
Sr1 Sr1 O3 10_555 . 2_655 44.91(7) ?
Sr1 Sr1 O3 10_555 . 3_665 44.91(12) ?
Sr2 Sr1 Sr2 . . 2_655 102.709(14) ?
Sr2 Sr1 Sr2 . . 3_665 102.708(14) ?
Sr2 Sr1 Sr2 . . 4_654 93.831(10) ?
Sr2 Sr1 Sr2 . . 5_664 161.215(15) ?
Sr2 Sr1 Sr2 . . 6_554 64.446(8) ?
Sr2 Sr1 P1 . . . 110.89(2) ?
Sr2 Sr1 P1 . . 2_655 57.472(12) ?
Sr2 Sr1 P1 . . 3_665 143.74(3) ?
Sr2 Sr1 P1 . . 4_665 49.43(2) ?
Sr2 Sr1 P1 . . 5_555 54.82(3) ?
Sr2 Sr1 P1 . . 6_655 121.14(2) ?
Sr2 Sr1 O1 . . . 121.86(10) ?
Sr2 Sr1 O1 . . 2_655 71.20(6) ?
Sr2 Sr1 O1 . . 3_665 135.39(9) ?
Sr2 Sr1 O2 . . . 77.36(6) ?
Sr2 Sr1 O2 . . 2_655 137.56(7) ?
Sr2 Sr1 O2 . . 3_665 39.14(7) ?
Sr2 Sr1 O3 . . . 32.51(12) ?
Sr2 Sr1 O3 . . 2_655 104.98(8) ?
Sr2 Sr1 O3 . . 3_665 70.54(10) ?
Sr2 Sr1 Sr2 2_655 . 3_665 102.709(17) ?
Sr2 Sr1 Sr2 2_655 . 4_654 64.446(10) ?
Sr2 Sr1 Sr2 2_655 . 5_664 93.831(12) ?
Sr2 Sr1 Sr2 2_655 . 6_554 161.216(13) ?
Sr2 Sr1 P1 2_655 . . 143.74(2) ?
Sr2 Sr1 P1 2_655 . 2_655 110.89(4) ?
Sr2 Sr1 P1 2_655 . 3_665 57.47(2) ?
Sr2 Sr1 P1 2_655 . 4_665 121.14(3) ?
Sr2 Sr1 P1 2_655 . 5_555 49.43(3) ?
Sr2 Sr1 P1 2_655 . 6_655 54.82(4) ?
Sr2 Sr1 O1 2_655 . . 135.39(10) ?
Sr2 Sr1 O1 2_655 . 2_655 121.86(16) ?
Sr2 Sr1 O1 2_655 . 3_665 71.20(12) ?
Sr2 Sr1 O2 2_655 . . 39.14(6) ?
Sr2 Sr1 O2 2_655 . 2_655 77.36(10) ?
Sr2 Sr1 O2 2_655 . 3_665 137.56(7) ?
Sr2 Sr1 O3 2_655 . . 70.54(12) ?
Sr2 Sr1 O3 2_655 . 2_655 32.51(17) ?
Sr2 Sr1 O3 2_655 . 3_665 104.98(14) ?
Sr2 Sr1 Sr2 3_665 . 4_654 161.216(12) ?
Sr2 Sr1 Sr2 3_665 . 5_664 64.446(11) ?
Sr2 Sr1 Sr2 3_665 . 6_554 93.831(14) ?
Sr2 Sr1 P1 3_665 . . 57.472(14) ?
Sr2 Sr1 P1 3_665 . 2_655 143.74(4) ?
Sr2 Sr1 P1 3_665 . 3_665 110.89(2) ?
Sr2 Sr1 P1 3_665 . 4_665 54.82(2) ?
Sr2 Sr1 P1 3_665 . 5_555 121.14(3) ?
Sr2 Sr1 P1 3_665 . 6_655 49.43(4) ?
Sr2 Sr1 O1 3_665 . . 71.20(8) ?
Sr2 Sr1 O1 3_665 . 2_655 135.39(16) ?
Sr2 Sr1 O1 3_665 . 3_665 121.86(9) ?
Sr2 Sr1 O2 3_665 . . 137.56(7) ?
Sr2 Sr1 O2 3_665 . 2_655 39.14(9) ?
Sr2 Sr1 O2 3_665 . 3_665 77.36(7) ?
Sr2 Sr1 O3 3_665 . . 104.97(10) ?
Sr2 Sr1 O3 3_665 . 2_655 70.54(17) ?
Sr2 Sr1 O3 3_665 . 3_665 32.51(9) ?
Sr2 Sr1 Sr2 4_654 . 5_664 101.384(15) ?
Sr2 Sr1 Sr2 4_654 . 6_554 101.384(15) ?
Sr2 Sr1 P1 4_654 . . 124.45(2) ?
Sr2 Sr1 P1 4_654 . 2_655 54.03(3) ?
Sr2 Sr1 P1 4_654 . 3_665 51.08(2) ?
Sr2 Sr1 P1 4_654 . 4_665 142.99(2) ?
Sr2 Sr1 P1 4_654 . 5_555 62.18(3) ?
Sr2 Sr1 P1 4_654 . 6_655 113.93(4) ?
Sr2 Sr1 O1 4_654 . . 107.51(9) ?
Sr2 Sr1 O1 4_654 . 2_655 58.66(15) ?
Sr2 Sr1 O1 4_654 . 3_665 42.73(10) ?
Sr2 Sr1 O2 4_654 . . 38.11(7) ?
Sr2 Sr1 O2 4_654 . 2_655 122.16(9) ?
Sr2 Sr1 O2 4_654 . 3_665 121.42(7) ?
Sr2 Sr1 O3 4_654 . . 84.26(12) ?
Sr2 Sr1 O3 4_654 . 2_655 96.79(16) ?
Sr2 Sr1 O3 4_654 . 3_665 159.41(10) ?
Sr2 Sr1 Sr2 5_664 . 6_554 101.384(14) ?
Sr2 Sr1 P1 5_664 . . 51.08(2) ?
Sr2 Sr1 P1 5_664 . 2_655 124.45(2) ?
Sr2 Sr1 P1 5_664 . 3_665 54.03(3) ?
Sr2 Sr1 P1 5_664 . 4_665 113.93(3) ?
Sr2 Sr1 P1 5_664 . 5_555 142.99(3) ?
Sr2 Sr1 P1 5_664 . 6_655 62.179(15) ?
Sr2 Sr1 O1 5_664 . . 42.73(9) ?
Sr2 Sr1 O1 5_664 . 2_655 107.51(8) ?
Sr2 Sr1 O1 5_664 . 3_665 58.66(10) ?
Sr2 Sr1 O2 5_664 . . 121.42(6) ?
Sr2 Sr1 O2 5_664 . 2_655 38.11(7) ?
Sr2 Sr1 O2 5_664 . 3_665 122.15(7) ?
Sr2 Sr1 O3 5_664 . . 159.41(7) ?
Sr2 Sr1 O3 5_664 . 2_655 84.26(10) ?
Sr2 Sr1 O3 5_664 . 3_665 96.79(9) ?
Sr2 Sr1 P1 6_554 . . 54.03(2) ?
Sr2 Sr1 P1 6_554 . 2_655 51.08(4) ?
Sr2 Sr1 P1 6_554 . 3_665 124.45(2) ?
Sr2 Sr1 P1 6_554 . 4_665 62.179(17) ?
Sr2 Sr1 P1 6_554 . 5_555 113.93(2) ?
Sr2 Sr1 P1 6_554 . 6_655 142.99(4) ?
Sr2 Sr1 O1 6_554 . . 58.66(9) ?
Sr2 Sr1 O1 6_554 . 2_655 42.73(15) ?
Sr2 Sr1 O1 6_554 . 3_665 107.51(11) ?
Sr2 Sr1 O2 6_554 . . 122.16(6) ?
Sr2 Sr1 O2 6_554 . 2_655 121.42(10) ?
Sr2 Sr1 O2 6_554 . 3_665 38.11(7) ?
Sr2 Sr1 O3 6_554 . . 96.79(11) ?
Sr2 Sr1 O3 6_554 . 2_655 159.41(13) ?
Sr2 Sr1 O3 6_554 . 3_665 84.26(14) ?
P1 Sr1 P1 . . 2_655 98.68(4) ?
P1 Sr1 P1 . . 3_665 98.68(3) ?
P1 Sr1 P1 . . 4_665 74.77(3) ?
P1 Sr1 P1 . . 5_555 165.69(3) ?
P1 Sr1 P1 . . 6_655 94.92(4) ?
P1 Sr1 O1 . . . 17.91(10) ?
P1 Sr1 O1 . . 2_655 82.78(15) ?
P1 Sr1 O1 . . 3_665 93.03(12) ?
P1 Sr1 O2 . . . 162.46(7) ?
P1 Sr1 O2 . . 2_655 68.82(9) ?
P1 Sr1 O2 . . 3_665 72.19(8) ?
P1 Sr1 O3 . . . 139.94(14) ?
P1 Sr1 O3 . . 2_655 121.32(16) ?
P1 Sr1 O3 . . 3_665 74.91(11) ?
P1 Sr1 P1 2_655 . 3_665 98.68(3) ?
P1 Sr1 P1 2_655 . 4_665 94.92(3) ?
P1 Sr1 P1 2_655 . 5_555 74.77(3) ?
P1 Sr1 P1 2_655 . 6_655 165.69(5) ?
P1 Sr1 O1 2_655 . . 93.03(7) ?
P1 Sr1 O1 2_655 . 2_655 17.91(11) ?
P1 Sr1 O1 2_655 . 3_665 82.78(8) ?
P1 Sr1 O2 2_655 . . 72.19(7) ?
P1 Sr1 O2 2_655 . 2_655 162.46(7) ?
P1 Sr1 O2 2_655 . 3_665 68.82(7) ?
P1 Sr1 O3 2_655 . . 74.91(6) ?
P1 Sr1 O3 2_655 . 2_655 139.94(16) ?
P1 Sr1 O3 2_655 . 3_665 121.32(12) ?
P1 Sr1 P1 3_665 . 4_665 165.69(3) ?
P1 Sr1 P1 3_665 . 5_555 94.92(4) ?
P1 Sr1 P1 3_665 . 6_655 74.77(3) ?
P1 Sr1 O1 3_665 . . 82.78(11) ?
P1 Sr1 O1 3_665 . 2_655 93.03(10) ?
P1 Sr1 O1 3_665 . 3_665 17.91(9) ?
P1 Sr1 O2 3_665 . . 68.82(7) ?
P1 Sr1 O2 3_665 . 2_655 72.19(9) ?
P1 Sr1 O2 3_665 . 3_665 162.46(7) ?
P1 Sr1 O3 3_665 . . 121.32(14) ?
P1 Sr1 O3 3_665 . 2_655 74.91(9) ?
P1 Sr1 O3 3_665 . 3_665 139.94(12) ?
P1 Sr1 P1 4_665 . 5_555 92.91(4) ?
P1 Sr1 P1 4_665 . 6_655 92.91(4) ?
P1 Sr1 O1 4_665 . . 92.12(11) ?
P1 Sr1 O1 4_665 . 2_655 98.64(11) ?
P1 Sr1 O1 4_665 . 3_665 167.16(12) ?
P1 Sr1 O2 4_665 . . 120.13(7) ?
P1 Sr1 O2 4_665 . 2_655 93.52(9) ?
P1 Sr1 O2 4_665 . 3_665 27.35(7) ?
P1 Sr1 O3 4_665 . . 66.67(14) ?
P1 Sr1 O3 4_665 . 2_655 97.37(12) ?
P1 Sr1 O3 4_665 . 3_665 26.49(12) ?
P1 Sr1 P1 5_555 . 6_655 92.91(4) ?
P1 Sr1 O1 5_555 . . 167.16(7) ?
P1 Sr1 O1 5_555 . 2_655 92.12(13) ?
P1 Sr1 O1 5_555 . 3_665 98.64(12) ?
P1 Sr1 O2 5_555 . . 27.35(7) ?
P1 Sr1 O2 5_555 . 2_655 120.13(9) ?
P1 Sr1 O2 5_555 . 3_665 93.52(8) ?
P1 Sr1 O3 5_555 . . 26.49(14) ?
P1 Sr1 O3 5_555 . 2_655 66.67(14) ?
P1 Sr1 O3 5_555 . 3_665 97.37(10) ?
P1 Sr1 O1 6_655 . . 98.64(7) ?
P1 Sr1 O1 6_655 . 2_655 167.16(8) ?
P1 Sr1 O1 6_655 . 3_665 92.12(9) ?
P1 Sr1 O2 6_655 . . 93.52(7) ?
P1 Sr1 O2 6_655 . 2_655 27.35(9) ?
P1 Sr1 O2 6_655 . 3_665 120.13(7) ?
P1 Sr1 O3 6_655 . . 97.37(7) ?
P1 Sr1 O3 6_655 . 2_655 26.49(16) ?
P1 Sr1 O3 6_655 . 3_665 66.67(13) ?
O1 Sr1 O1 . . 2_655 75.43(14) ?
O1 Sr1 O1 . . 3_665 75.43(16) ?
O1 Sr1 O2 . . . 144.89(12) ?
O1 Sr1 O2 . . 2_655 71.29(11) ?
O1 Sr1 O2 . . 3_665 85.58(13) ?
O1 Sr1 O3 . . . 153.99(16) ?
O1 Sr1 O3 . . 2_655 124.30(15) ?
O1 Sr1 O3 . . 3_665 92.39(14) ?
O1 Sr1 O1 2_655 . 3_665 75.43(13) ?
O1 Sr1 O2 2_655 . . 85.58(17) ?
O1 Sr1 O2 2_655 . 2_655 144.89(12) ?
O1 Sr1 O2 2_655 . 3_665 71.29(13) ?
O1 Sr1 O3 2_655 . . 92.39(10) ?
O1 Sr1 O3 2_655 . 2_655 154.0(2) ?
O1 Sr1 O3 2_655 . 3_665 124.30(18) ?
O1 Sr1 O2 3_665 . . 71.29(13) ?
O1 Sr1 O2 3_665 . 2_655 85.58(11) ?
O1 Sr1 O2 3_665 . 3_665 144.89(12) ?
O1 Sr1 O3 3_665 . . 124.30(17) ?
O1 Sr1 O3 3_665 . 2_655 92.39(14) ?
O1 Sr1 O3 3_665 . 3_665 153.99(13) ?
O2 Sr1 O2 . . 2_655 116.18(11) ?
O2 Sr1 O2 . . 3_665 116.18(9) ?
O2 Sr1 O3 . . . 53.47(15) ?
O2 Sr1 O3 . . 2_655 68.65(18) ?
O2 Sr1 O3 . . 3_665 122.60(13) ?
O2 Sr1 O2 2_655 . 3_665 116.18(12) ?
O2 Sr1 O3 2_655 . . 122.60(9) ?
O2 Sr1 O3 2_655 . 2_655 53.47(17) ?
O2 Sr1 O3 2_655 . 3_665 68.65(13) ?
O2 Sr1 O3 3_665 . . 68.65(15) ?
O2 Sr1 O3 3_665 . 2_655 122.60(12) ?
O2 Sr1 O3 3_665 . 3_665 53.47(14) ?
O3 Sr1 O3 . . 2_655 75.38(13) ?
O3 Sr1 O3 . . 3_665 75.38(15) ?
O3 Sr1 O3 2_655 . 3_665 75.4(2) ?
Sr1 Sr2 Sr1 . . 4_655 108.742(16) ?
Sr1 Sr2 Sr1 . . 7_655 86.169(11) ?
Sr1 Sr2 Sr1 . . 10_555 51.196(12) ?
Sr1 Sr2 Sr2 . . 2_555 95.835(12) ?
Sr1 Sr2 Sr2 . . 3_555 145.779(15) ?
Sr1 Sr2 Sr2 . . 5_554 98.566(10) ?
Sr1 Sr2 Sr2 . . 5_555 149.582(12) ?
Sr1 Sr2 Sr2 . . 6_554 55.955(12) ?
Sr1 Sr2 Sr2 . . 6_555 98.833(13) ?
Sr1 Sr2 P1 . . 2_655 55.47(2) ?
Sr1 Sr2 P1 . . 2_656 104.37(2) ?
Sr1 Sr2 P1 . . 4_665 50.94(3) ?
Sr1 Sr2 P1 . . 5_555 49.80(3) ?
Sr1 Sr2 P1 . . 6_545 145.01(3) ?
Sr1 Sr2 O1 . . 6_545 124.14(12) ?
Sr1 Sr2 O2 . . 3_665 42.63(11) ?
Sr1 Sr2 O2 . . 4_655 117.52(6) ?
Sr1 Sr2 O2 . . 7_655 69.01(6) ?
Sr1 Sr2 O2 . . 12_665 70.50(8) ?
Sr1 Sr2 O3 . . . 34.03(8) ?
Sr1 Sr2 O4 . . . 122.418(17) ?
Sr1 Sr2 Cu . . . 100.229(10) ?
Sr1 Sr2 Cu . . 4_555 133.454(17) ?
Sr1 Sr2 Sr1 4_655 . 7_655 53.380(15) ?
Sr1 Sr2 Sr1 4_655 . 10_555 86.169(11) ?
Sr1 Sr2 Sr2 4_655 . 2_555 149.396(11) ?
Sr1 Sr2 Sr2 4_655 . 3_555 102.874(12) ?
Sr1 Sr2 Sr2 4_655 . 5_554 103.626(17) ?
Sr1 Sr2 Sr2 4_655 . 5_555 59.599(14) ?
Sr1 Sr2 Sr2 4_655 . 6_554 149.210(18) ?
Sr1 Sr2 Sr2 4_655 . 6_555 96.743(13) ?
Sr1 Sr2 P1 4_655 . 2_655 101.56(4) ?
Sr1 Sr2 P1 4_655 . 2_656 49.69(4) ?
Sr1 Sr2 P1 4_655 . 4_665 136.87(3) ?
Sr1 Sr2 P1 4_655 . 5_555 58.99(3) ?
Sr1 Sr2 P1 4_655 . 6_545 60.19(4) ?
Sr1 Sr2 O1 4_655 . 6_545 38.89(10) ?
Sr1 Sr2 O2 4_655 . 3_665 150.75(11) ?
Sr1 Sr2 O2 4_655 . 4_655 45.01(9) ?
Sr1 Sr2 O2 4_655 . 7_655 98.39(10) ?
Sr1 Sr2 O2 4_655 . 12_665 117.04(9) ?
Sr1 Sr2 O3 4_655 . . 77.40(12) ?
Sr1 Sr2 O4 4_655 . . 128.724(12) ?
Sr1 Sr2 Cu 4_655 . . 140.362(13) ?
Sr1 Sr2 Cu 4_655 . 4_555 103.869(9) ?
Sr1 Sr2 Sr1 7_655 . 10_555 108.742(16) ?
Sr1 Sr2 Sr2 7_655 . 2_555 149.396(11) ?
Sr1 Sr2 Sr2 7_655 . 3_555 102.874(12) ?
Sr1 Sr2 Sr2 7_655 . 5_554 59.599(14) ?
Sr1 Sr2 Sr2 7_655 . 5_555 103.626(17) ?
Sr1 Sr2 Sr2 7_655 . 6_554 96.743(13) ?
Sr1 Sr2 Sr2 7_655 . 6_555 149.210(18) ?
Sr1 Sr2 P1 7_655 . 2_655 49.69(4) ?
Sr1 Sr2 P1 7_655 . 2_656 101.56(4) ?
Sr1 Sr2 P1 7_655 . 4_665 136.87(3) ?
Sr1 Sr2 P1 7_655 . 5_555 58.99(3) ?
Sr1 Sr2 P1 7_655 . 6_545 60.19(4) ?
Sr1 Sr2 O1 7_655 . 6_545 38.89(10) ?
Sr1 Sr2 O2 7_655 . 3_665 117.04(9) ?
Sr1 Sr2 O2 7_655 . 4_655 98.39(10) ?
Sr1 Sr2 O2 7_655 . 7_655 45.01(9) ?
Sr1 Sr2 O2 7_655 . 12_665 150.75(11) ?
Sr1 Sr2 O3 7_655 . . 77.40(12) ?
Sr1 Sr2 O4 7_655 . . 128.724(12) ?
Sr1 Sr2 Cu 7_655 . . 103.869(9) ?
Sr1 Sr2 Cu 7_655 . 4_555 140.362(13) ?
Sr1 Sr2 Sr2 10_555 . 2_555 95.835(12) ?
Sr1 Sr2 Sr2 10_555 . 3_555 145.779(15) ?
Sr1 Sr2 Sr2 10_555 . 5_554 149.582(12) ?
Sr1 Sr2 Sr2 10_555 . 5_555 98.566(10) ?
Sr1 Sr2 Sr2 10_555 . 6_554 98.833(13) ?
Sr1 Sr2 Sr2 10_555 . 6_555 55.955(12) ?
Sr1 Sr2 P1 10_555 . 2_655 104.37(2) ?
Sr1 Sr2 P1 10_555 . 2_656 55.47(2) ?
Sr1 Sr2 P1 10_555 . 4_665 50.94(3) ?
Sr1 Sr2 P1 10_555 . 5_555 49.80(3) ?
Sr1 Sr2 P1 10_555 . 6_545 145.01(3) ?
Sr1 Sr2 O1 10_555 . 6_545 124.14(12) ?
Sr1 Sr2 O2 10_555 . 3_665 70.50(8) ?
Sr1 Sr2 O2 10_555 . 4_655 69.01(6) ?
Sr1 Sr2 O2 10_555 . 7_655 117.52(6) ?
Sr1 Sr2 O2 10_555 . 12_665 42.63(11) ?
Sr1 Sr2 O3 10_555 . . 34.03(8) ?
Sr1 Sr2 O4 10_555 . . 122.418(17) ?
Sr1 Sr2 Cu 10_555 . . 133.454(17) ?
Sr1 Sr2 Cu 10_555 . 4_555 100.229(10) ?
Sr2 Sr2 Sr2 2_555 . 3_555 60.000(15) ?
Sr2 Sr2 Sr2 2_555 . 5_554 90.000(16) ?
Sr2 Sr2 Sr2 2_555 . 5_555 90.000(16) ?
Sr2 Sr2 Sr2 2_555 . 6_554 60.746(13) ?
Sr2 Sr2 Sr2 2_555 . 6_555 60.746(13) ?
Sr2 Sr2 P1 2_555 . 2_655 107.42(4) ?
Sr2 Sr2 P1 2_555 . 2_656 107.42(4) ?
Sr2 Sr2 P1 2_555 . 4_665 50.79(3) ?
Sr2 Sr2 P1 2_555 . 5_555 140.78(4) ?
Sr2 Sr2 P1 2_555 . 6_545 108.24(4) ?
Sr2 Sr2 O1 2_555 . 6_545 135.04(14) ?
Sr2 Sr2 O2 2_555 . 3_665 54.11(11) ?
Sr2 Sr2 O2 2_555 . 4_655 107.48(10) ?
Sr2 Sr2 O2 2_555 . 7_655 107.48(10) ?
Sr2 Sr2 O2 2_555 . 12_665 54.11(11) ?
Sr2 Sr2 O3 2_555 . . 119.69(13) ?
Sr2 Sr2 O4 2_555 . . 30.000(11) ?
Sr2 Sr2 Cu 2_555 . . 45.656(10) ?
Sr2 Sr2 Cu 2_555 . 4_555 45.656(10) ?
Sr2 Sr2 Sr2 3_555 . 5_554 60.746(9) ?
Sr2 Sr2 Sr2 3_555 . 5_555 60.746(9) ?
Sr2 Sr2 Sr2 3_555 . 6_554 90.000(15) ?
Sr2 Sr2 Sr2 3_555 . 6_555 90.000(15) ?
Sr2 Sr2 P1 3_555 . 2_655 105.92(2) ?
Sr2 Sr2 P1 3_555 . 2_656 105.92(2) ?
Sr2 Sr2 P1 3_555 . 4_665 110.79(4) ?
Sr2 Sr2 P1 3_555 . 5_555 159.22(4) ?
Sr2 Sr2 P1 3_555 . 6_545 48.24(4) ?
Sr2 Sr2 O1 3_555 . 6_545 75.04(14) ?
Sr2 Sr2 O2 3_555 . 3_665 106.33(11) ?
Sr2 Sr2 O2 3_555 . 4_655 94.04(7) ?
Sr2 Sr2 O2 3_555 . 7_655 94.04(7) ?
Sr2 Sr2 O2 3_555 . 12_665 106.33(11) ?
Sr2 Sr2 O3 3_555 . . 179.69(13) ?
Sr2 Sr2 O4 3_555 . . 30.000(11) ?
Sr2 Sr2 Cu 3_555 . . 45.656(9) ?
Sr2 Sr2 Cu 3_555 . 4_555 45.656(9) ?
Sr2 Sr2 Sr2 5_554 . 5_555 111.295(12) ?
Sr2 Sr2 Sr2 5_554 . 6_554 58.508(11) ?
Sr2 Sr2 Sr2 5_554 . 6_555 147.22(2) ?
Sr2 Sr2 P1 5_554 . 2_655 45.770(19) ?
Sr2 Sr2 P1 5_554 . 2_656 149.30(3) ?
Sr2 Sr2 P1 5_554 . 4_665 115.927(19) ?
Sr2 Sr2 P1 5_554 . 5_555 110.91(2) ?
Sr2 Sr2 P1 5_554 . 6_545 57.594(12) ?
Sr2 Sr2 O1 5_554 . 6_545 66.50(6) ?
Sr2 Sr2 O2 5_554 . 3_665 89.44(7) ?
Sr2 Sr2 O2 5_554 . 4_655 137.04(6) ?
Sr2 Sr2 O2 5_554 . 7_655 33.31(7) ?
Sr2 Sr2 O2 5_554 . 12_665 139.31(10) ?
Sr2 Sr2 O3 5_554 . . 119.35(4) ?
Sr2 Sr2 O4 5_554 . . 73.612(13) ?
Sr2 Sr2 Cu 5_554 . . 44.344(12) ?
Sr2 Sr2 Cu 5_554 . 4_555 105.054(16) ?
Sr2 Sr2 Sr2 5_555 . 6_554 147.22(2) ?
Sr2 Sr2 Sr2 5_555 . 6_555 58.508(11) ?
Sr2 Sr2 P1 5_555 . 2_655 149.30(3) ?
Sr2 Sr2 P1 5_555 . 2_656 45.770(19) ?
Sr2 Sr2 P1 5_555 . 4_665 115.927(19) ?
Sr2 Sr2 P1 5_555 . 5_555 110.91(2) ?
Sr2 Sr2 P1 5_555 . 6_545 57.594(12) ?
Sr2 Sr2 O1 5_555 . 6_545 66.50(6) ?
Sr2 Sr2 O2 5_555 . 3_665 139.31(10) ?
Sr2 Sr2 O2 5_555 . 4_655 33.31(7) ?
Sr2 Sr2 O2 5_555 . 7_655 137.04(6) ?
Sr2 Sr2 O2 5_555 . 12_665 89.44(7) ?
Sr2 Sr2 O3 5_555 . . 119.35(4) ?
Sr2 Sr2 O4 5_555 . . 73.612(13) ?
Sr2 Sr2 Cu 5_555 . . 105.054(16) ?
Sr2 Sr2 Cu 5_555 . 4_555 44.344(12) ?
Sr2 Sr2 Sr2 6_554 . 6_555 111.295(17) ?
Sr2 Sr2 P1 6_554 . 2_655 47.70(4) ?
Sr2 Sr2 P1 6_554 . 2_656 152.18(3) ?
Sr2 Sr2 P1 6_554 . 4_665 58.161(11) ?
Sr2 Sr2 P1 6_554 . 5_555 101.55(2) ?
Sr2 Sr2 P1 6_554 . 6_545 114.89(2) ?
Sr2 Sr2 O1 6_554 . 6_545 123.04(3) ?
Sr2 Sr2 O2 6_554 . 3_665 30.95(7) ?
Sr2 Sr2 O2 6_554 . 4_655 163.04(8) ?
Sr2 Sr2 O2 6_554 . 7_655 52.33(9) ?
Sr2 Sr2 O2 6_554 . 12_665 84.86(8) ?
Sr2 Sr2 O3 6_554 . . 89.83(7) ?
Sr2 Sr2 O4 6_554 . . 73.612(16) ?
Sr2 Sr2 Cu 6_554 . . 44.344(11) ?
Sr2 Sr2 Cu 6_554 . 4_555 105.05(2) ?
Sr2 Sr2 P1 6_555 . 2_655 152.18(3) ?
Sr2 Sr2 P1 6_555 . 2_656 47.70(4) ?
Sr2 Sr2 P1 6_555 . 4_665 58.161(11) ?
Sr2 Sr2 P1 6_555 . 5_555 101.55(2) ?
Sr2 Sr2 P1 6_555 . 6_545 114.89(2) ?
Sr2 Sr2 O1 6_555 . 6_545 123.04(3) ?
Sr2 Sr2 O2 6_555 . 3_665 84.86(8) ?
Sr2 Sr2 O2 6_555 . 4_655 52.33(9) ?
Sr2 Sr2 O2 6_555 . 7_655 163.04(8) ?
Sr2 Sr2 O2 6_555 . 12_665 30.95(7) ?
Sr2 Sr2 O3 6_555 . . 89.83(7) ?
Sr2 Sr2 O4 6_555 . . 73.612(16) ?
Sr2 Sr2 Cu 6_555 . . 105.05(2) ?
Sr2 Sr2 Cu 6_555 . 4_555 44.344(11) ?
P1 Sr2 P1 2_655 . 2_656 141.20(5) ?
P1 Sr2 P1 2_655 . 4_665 94.46(3) ?
P1 Sr2 P1 2_655 . 5_555 71.16(3) ?
P1 Sr2 P1 2_655 . 6_545 92.46(3) ?
P1 Sr2 O1 2_655 . 6_545 83.67(5) ?
P1 Sr2 O2 2_655 . 3_665 68.99(9) ?
P1 Sr2 O2 2_655 . 4_655 144.96(11) ?
P1 Sr2 O2 2_655 . 7_655 13.55(6) ?
P1 Sr2 O2 2_655 . 12_665 121.25(8) ?
P1 Sr2 O3 2_655 . . 74.14(3) ?
P1 Sr2 O4 2_655 . . 109.34(3) ?
P1 Sr2 Cu 2_655 . . 73.17(3) ?
P1 Sr2 Cu 2_655 . 4_555 145.51(3) ?
P1 Sr2 P1 2_656 . 4_665 94.46(3) ?
P1 Sr2 P1 2_656 . 5_555 71.16(3) ?
P1 Sr2 P1 2_656 . 6_545 92.46(3) ?
P1 Sr2 O1 2_656 . 6_545 83.67(5) ?
P1 Sr2 O2 2_656 . 3_665 121.25(8) ?
P1 Sr2 O2 2_656 . 4_655 13.55(6) ?
P1 Sr2 O2 2_656 . 7_655 144.96(11) ?
P1 Sr2 O2 2_656 . 12_665 68.99(9) ?
P1 Sr2 O3 2_656 . . 74.14(3) ?
P1 Sr2 O4 2_656 . . 109.34(3) ?
P1 Sr2 Cu 2_656 . . 145.51(3) ?
P1 Sr2 Cu 2_656 . 4_555 73.17(3) ?
P1 Sr2 P1 4_665 . 5_555 89.99(5) ?
P1 Sr2 P1 4_665 . 6_545 159.03(6) ?
P1 Sr2 O1 4_665 . 6_545 174.17(14) ?
P1 Sr2 O2 4_665 . 3_665 27.80(7) ?
P1 Sr2 O2 4_665 . 4_655 105.14(7) ?
P1 Sr2 O2 4_665 . 7_655 105.14(7) ?
P1 Sr2 O2 4_665 . 12_665 27.80(7) ?
P1 Sr2 O3 4_665 . . 68.90(13) ?
P1 Sr2 O4 4_665 . . 80.79(4) ?
P1 Sr2 Cu 4_665 . . 82.58(3) ?
P1 Sr2 Cu 4_665 . 4_555 82.58(3) ?
P1 Sr2 P1 5_555 . 6_545 110.98(6) ?
P1 Sr2 O1 5_555 . 6_545 84.18(14) ?
P1 Sr2 O2 5_555 . 3_665 91.99(11) ?
P1 Sr2 O2 5_555 . 4_655 79.95(8) ?
P1 Sr2 O2 5_555 . 7_655 79.95(8) ?
P1 Sr2 O2 5_555 . 12_665 91.99(11) ?
P1 Sr2 O3 5_555 . . 21.08(13) ?
P1 Sr2 O4 5_555 . . 170.78(4) ?
P1 Sr2 Cu 5_555 . . 142.813(10) ?
P1 Sr2 Cu 5_555 . 4_555 142.813(10) ?
P1 Sr2 O1 6_545 . 6_545 26.80(14) ?
P1 Sr2 O2 6_545 . 3_665 144.44(9) ?
P1 Sr2 O2 6_545 . 4_655 79.55(6) ?
P1 Sr2 O2 6_545 . 7_655 79.55(6) ?
P1 Sr2 O2 6_545 . 12_665 144.44(9) ?
P1 Sr2 O3 6_545 . . 132.06(14) ?
P1 Sr2 O4 6_545 . . 78.24(4) ?
P1 Sr2 Cu 6_545 . . 80.53(4) ?
P1 Sr2 Cu 6_545 . 4_555 80.53(4) ?
O1 Sr2 O2 6_545 . 3_665 152.07(8) ?
O1 Sr2 O2 6_545 . 4_655 73.89(8) ?
O1 Sr2 O2 6_545 . 7_655 73.89(8) ?
O1 Sr2 O2 6_545 . 12_665 152.07(8) ?
O1 Sr2 O3 6_545 . . 105.26(19) ?
O1 Sr2 O4 6_545 . . 105.04(14) ?
O1 Sr2 Cu 6_545 . . 102.09(11) ?
O1 Sr2 Cu 6_545 . 4_555 102.09(11) ?
O2 Sr2 O2 3_665 . 4_655 132.74(10) ?
O2 Sr2 O2 3_665 . 7_655 78.20(11) ?
O2 Sr2 O2 3_665 . 12_665 55.44(10) ?
O2 Sr2 O3 3_665 . . 73.40(15) ?
O2 Sr2 O4 3_665 . . 79.86(11) ?
O2 Sr2 Cu 3_665 . . 65.37(9) ?
O2 Sr2 Cu 3_665 . 4_555 97.61(11) ?
O2 Sr2 O2 4_655 . 7_655 143.38(13) ?
O2 Sr2 O2 4_655 . 12_665 78.20(11) ?
O2 Sr2 O3 4_655 . . 86.05(8) ?
O2 Sr2 O4 4_655 . . 102.36(9) ?
O2 Sr2 Cu 4_655 . . 137.17(8) ?
O2 Sr2 Cu 4_655 . 4_555 67.19(9) ?
O2 Sr2 O2 7_655 . 12_665 132.74(10) ?
O2 Sr2 O3 7_655 . . 86.05(8) ?
O2 Sr2 O4 7_655 . . 102.36(9) ?
O2 Sr2 Cu 7_655 . . 67.19(9) ?
O2 Sr2 Cu 7_655 . 4_555 137.17(8) ?
O2 Sr2 O3 12_665 . . 73.40(15) ?
O2 Sr2 O4 12_665 . . 79.86(11) ?
O2 Sr2 Cu 12_665 . . 97.61(11) ?
O2 Sr2 Cu 12_665 . 4_555 65.37(9) ?
O3 Sr2 O4 . . . 149.69(13) ?
O3 Sr2 Cu . . . 134.17(7) ?
O3 Sr2 Cu . . 4_555 134.17(7) ?
O4 Sr2 Cu . . . 36.187(8) ?
O4 Sr2 Cu . . 4_555 36.187(8) ?
Cu Sr2 Cu . . 4_555 72.373(15) ?
Sr1 P1 Sr1 . . 4_664 142.25(3) ?
Sr1 P1 Sr1 . . 7_665 105.233(19) ?
Sr1 P1 Sr1 . . 10_554 57.68(3) ?
Sr1 P1 Sr2 . . 3_664 121.34(5) ?
Sr1 P1 Sr2 . . 3_665 67.06(2) ?
Sr1 P1 Sr2 . . 4_664 136.92(3) ?
Sr1 P1 Sr2 . . 5_664 68.73(4) ?
Sr1 P1 Sr2 . . 6_554 66.98(3) ?
Sr1 P1 O1 . . . 30.80(5) ?
Sr1 P1 O2 . . 6_554 141.5(2) ?
Sr1 P1 O2 . . 9_555 89.71(17) ?
Sr1 P1 O3 . . 6_554 97.7(2) ?
Sr1 P1 Sr1 4_664 . 7_665 66.36(4) ?
Sr1 P1 Sr1 4_664 . 10_554 105.233(19) ?
Sr1 P1 Sr2 4_664 . 3_664 68.13(2) ?
Sr1 P1 Sr2 4_664 . 3_665 131.29(5) ?
Sr1 P1 Sr2 4_664 . 4_664 79.63(4) ?
Sr1 P1 Sr2 4_664 . 5_664 141.16(2) ?
Sr1 P1 Sr2 4_664 . 6_554 75.37(3) ?
Sr1 P1 O1 4_664 . . 134.72(9) ?
Sr1 P1 O2 4_664 . 6_554 59.99(19) ?
Sr1 P1 O2 4_664 . 9_555 113.2(2) ?
Sr1 P1 O3 4_664 . 6_554 48.18(17) ?
Sr1 P1 Sr1 7_665 . 10_554 142.25(3) ?
Sr1 P1 Sr2 7_665 . 3_664 131.29(5) ?
Sr1 P1 Sr2 7_665 . 3_665 68.13(2) ?
Sr1 P1 Sr2 7_665 . 4_664 79.63(4) ?
Sr1 P1 Sr2 7_665 . 5_664 141.16(2) ?
Sr1 P1 Sr2 7_665 . 6_554 75.37(3) ?
Sr1 P1 O1 7_665 . . 134.72(9) ?
Sr1 P1 O2 7_665 . 6_554 113.2(2) ?
Sr1 P1 O2 7_665 . 9_555 59.99(19) ?
Sr1 P1 O3 7_665 . 6_554 48.18(17) ?
Sr1 P1 Sr2 10_554 . 3_664 67.06(2) ?
Sr1 P1 Sr2 10_554 . 3_665 121.34(5) ?
Sr1 P1 Sr2 10_554 . 4_664 136.92(3) ?
Sr1 P1 Sr2 10_554 . 5_664 68.73(4) ?
Sr1 P1 Sr2 10_554 . 6_554 66.98(3) ?
Sr1 P1 O1 10_554 . . 30.80(5) ?
Sr1 P1 O2 10_554 . 6_554 89.71(17) ?
Sr1 P1 O2 10_554 . 9_555 141.5(2) ?
Sr1 P1 O3 10_554 . 6_554 97.7(2) ?
Sr2 P1 Sr2 3_664 . 3_665 141.20(3) ?
Sr2 P1 Sr2 3_664 . 4_664 76.07(2) ?
Sr2 P1 Sr2 3_664 . 5_664 74.70(2) ?
Sr2 P1 Sr2 3_664 . 6_554 108.838(18) ?
Sr2 P1 O1 3_664 . . 90.55(6) ?
Sr2 P1 O2 3_664 . 6_554 22.67(17) ?
Sr2 P1 O2 3_664 . 9_555 128.21(12) ?
Sr2 P1 O3 3_664 . 6_554 107.98(4) ?
Sr2 P1 Sr2 3_665 . 4_664 76.07(2) ?
Sr2 P1 Sr2 3_665 . 5_664 74.70(2) ?
Sr2 P1 Sr2 3_665 . 6_554 108.838(18) ?
Sr2 P1 O1 3_665 . . 90.55(6) ?
Sr2 P1 O2 3_665 . 6_554 128.21(12) ?
Sr2 P1 O2 3_665 . 9_555 22.67(17) ?
Sr2 P1 O3 3_665 . 6_554 107.98(4) ?
Sr2 P1 Sr2 4_664 . 5_664 80.97(3) ?
Sr2 P1 Sr2 4_664 . 6_554 150.01(6) ?
Sr2 P1 O1 4_664 . . 135.20(14) ?
Sr2 P1 O2 4_664 . 6_554 55.02(13) ?
Sr2 P1 O2 4_664 . 9_555 55.02(13) ?
Sr2 P1 O3 4_664 . 6_554 114.8(3) ?
Sr2 P1 Sr2 5_664 . 6_554 129.02(6) ?
Sr2 P1 O1 5_664 . . 54.23(14) ?
Sr2 P1 O2 5_664 . 6_554 81.3(2) ?
Sr2 P1 O2 5_664 . 9_555 81.3(2) ?
Sr2 P1 O3 5_664 . 6_554 164.3(3) ?
Sr2 P1 O1 6_554 . . 74.79(13) ?
Sr2 P1 O2 6_554 . 6_554 121.82(13) ?
Sr2 P1 O2 6_554 . 9_555 121.82(13) ?
Sr2 P1 O3 6_554 . 6_554 35.3(2) ?
O1 P1 O2 . . 6_554 111.3(2) ?
O1 P1 O2 . . 9_555 111.3(2) ?
O1 P1 O3 . . 6_554 110.0(3) ?
O2 P1 O2 6_554 . 9_555 109.58(19) ?
O2 P1 O3 6_554 . 6_554 107.2(2) ?
O2 P1 O3 9_555 . 6_554 107.2(2) ?
Sr1 O1 Sr1 . . 10_554 90.12(17) ?
Sr1 O1 Sr2 . . 5_664 98.39(14) ?
Sr1 O1 P1 . . . 131.30(12) ?
Sr1 O1 Sr2 10_554 . 5_664 98.39(14) ?
Sr1 O1 P1 10_554 . . 131.30(12) ?
Sr2 O1 P1 5_664 . . 98.97(17) ?
Sr1 O2 Sr2 . . 2_655 98.23(10) ?
Sr1 O2 Sr2 . . 4_654 96.88(12) ?
Sr1 O2 P1 . . 5_555 92.7(2) ?
Sr2 O2 Sr2 2_655 . 4_654 115.74(13) ?
Sr2 O2 P1 2_655 . 5_555 97.17(15) ?
Sr2 O2 P1 4_654 . 5_555 143.78(16) ?
Sr1 O3 Sr1 . . 10_555 90.19(13) ?
Sr1 O3 Sr2 . . . 113.47(18) ?
Sr1 O3 P1 . . 5_555 105.34(18) ?
Sr1 O3 Sr2 10_555 . . 113.47(18) ?
Sr1 O3 P1 10_555 . 5_555 105.34(18) ?
Sr2 O3 P1 . . 5_555 123.7(2) ?
Sr2 O4 Sr2 . . 2_555 120.000(16) ?
Sr2 O4 Sr2 . . 3_555 120.00(2) ?
Sr2 O4 Cu . . . 90 ?
Sr2 O4 Cu . . 4_555 90 ?
Sr2 O4 Sr2 2_555 . 3_555 120.00(2) ?
Sr2 O4 Cu 2_555 . . 90 ?
Sr2 O4 Cu 2_555 . 4_555 90 ?
Sr2 O4 Cu 3_555 . . 90 ?
Sr2 O4 Cu 3_555 . 4_555 90 ?
Cu O4 Cu . . 4_555 180.0(5) ?
Sr2 Cu Sr2 . . 2_555 88.688(15) ?
Sr2 Cu Sr2 . . 3_555 88.688(15) ?
Sr2 Cu Sr2 . . 4_554 180.0(5) ?
Sr2 Cu Sr2 . . 5_554 91.312(15) ?
Sr2 Cu Sr2 . . 6_554 91.312(15) ?
Sr2 Cu O4 . . . 53.813(8) ?
Sr2 Cu O4 . . 4_554 126.187(8) ?
Sr2 Cu Sr2 2_555 . 3_555 88.688(13) ?
Sr2 Cu Sr2 2_555 . 4_554 91.312(15) ?
Sr2 Cu Sr2 2_555 . 5_554 180.0(5) ?
Sr2 Cu Sr2 2_555 . 6_554 91.312(13) ?
Sr2 Cu O4 2_555 . . 53.813(10) ?
Sr2 Cu O4 2_555 . 4_554 126.187(10) ?
Sr2 Cu Sr2 3_555 . 4_554 91.312(15) ?
Sr2 Cu Sr2 3_555 . 5_554 91.312(13) ?
Sr2 Cu Sr2 3_555 . 6_554 180.0(5) ?
Sr2 Cu O4 3_555 . . 53.813(6) ?
Sr2 Cu O4 3_555 . 4_554 126.187(6) ?
Sr2 Cu Sr2 4_554 . 5_554 88.688(15) ?
Sr2 Cu Sr2 4_554 . 6_554 88.688(15) ?
Sr2 Cu O4 4_554 . . 126.187(8) ?
Sr2 Cu O4 4_554 . 4_554 53.813(8) ?
Sr2 Cu Sr2 5_554 . 6_554 88.688(13) ?
Sr2 Cu O4 5_554 . . 126.187(10) ?
Sr2 Cu O4 5_554 . 4_554 53.813(10) ?
Sr2 Cu O4 6_554 . . 126.187(6) ?
Sr2 Cu O4 6_554 . 4_554 53.813(6) ?
O4 Cu O4 . . 4_554 180.0(5) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_preparation       'Magnetic properties'
