LMucko/crystallography-open-database huggingface dataset:
Phase Relationships in the BaO-Ga2O3-Ta2O5 System and the Structure of Ba6Ga21TaO40
Jiang Cao; Xiaodi Yu; Xiaojun Kuang; Qiang Su; Inorganic Chemistry 51 (2012) 7788–7793; doi:10.1021/ic3008238

data_4329724
_publ_section_title
;
 Phase Relationships in the BaO-Ga2O3-Ta2O5 System and the Structure of
 Ba6Ga21TaO40
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7788
_journal_page_last               7793
_journal_paper_doi               10.1021/ic3008238
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ba6 Ga21 O40 Ta'
_chemical_name_mineral           Ba6Ga21TaO40
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.78934
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   15.913
_cell_length_b                   11.73087
_cell_length_c                   5.13593
_cell_volume                     912.900
_cod_data_source_file            ic3008238_si_001.cif
_cod_data_source_block           BaGaTaO
_cod_original_cell_volume        912.9002
_cod_original_formula_sum        'Ba6 Ga21 Ta O40'
_cod_database_code               4329724
Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium Oxyarsenides TbRuAsO and DyRuAsO
Michael A. McGuire; Andrew F. May; Brian C. Sales; Inorganic Chemistry 51 (2012) 8502–8508; doi:10.1021/ic3010695

data_4329930
_publ_section_title
;
 Crystallographic and Magnetic Phase Transitions in the Layered Ruthenium
 Oxyarsenides TbRuAsO and DyRuAsO
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8502
_journal_page_last               8508
_journal_paper_doi               10.1021/ic3010695
_journal_volume                  51
_journal_year                    2012
_chemical_formula_structural     TbRuAsO
_chemical_formula_sum            'As O Ru Tb'
_chemical_formula_weight         350.95
_chemical_name_common            'Terbium Ruthenium Arsenide Oxide'
_chemical_name_systematic        ' ?'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   4.02540(9)
_cell_length_b                   4.02540(9)
_cell_length_c                   8.07102(19)
_cell_measurement_temperature    295
_cell_volume                     130.782(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_detector                 Xcellerator
_diffrn_detector_type            PSD
_diffrn_measurement_device_type  'Bragg-Brentanno, 2theta-omega'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.540598
_diffrn_source                   'ceramic tube'
_diffrn_source_target            Cu
_pd_char_colour                  grey
_pd_meas_2theta_range_inc        0.016711
_pd_meas_2theta_range_max        89.98849
_pd_meas_2theta_range_min        10.00836
_pd_meas_number_of_points        4787
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.016711
_pd_proc_2theta_range_max        89.9885
_pd_proc_2theta_range_min        10.0084
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        6.8811
_pd_proc_ls_prof_wR_expected     7.4123
_pd_proc_ls_prof_wR_factor       9.1926
_pd_proc_wavelength              1.540598
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              15
_pd_spec_size_equat              15
_pd_spec_size_thick              0.05
_refine_ls_number_parameters     28
_refine_ls_number_reflns         52
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.7859
_cod_data_source_file            ic3010695_si_001_1.cif
_cod_data_source_block           TbRuAsO_295K
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4329930
_pd_proc_ls_prof_cr_factor       26.1715
_pd_proc_ls_prof_cwr_factor      20.8981
_pd_proc_ls_prof_cwr_expected    16.8508
_pd_proc_ls_prof_chi2            1.5381
_pd_proc_ls_prof_echi2           1.5381
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330025
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce1.5 La1.5 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.50502
_cell_length_b                   10.50502
_cell_length_c                   6.38831
_cell_volume                     610.535
_cod_data_source_file            ic3006053_Ca3La1.5.cif
_cod_data_source_block           a
_cod_original_cell_volume        610.5347
_cod_original_formula_sum        'Ca3 La1.5 Ce1.5 B5 O15'
_cod_database_code               4330025
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330026
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce0.9 La2.1 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.5065
_cell_length_b                   10.5065
_cell_length_c                   6.40123
_cell_volume                     611.942
_cod_data_source_file            ic3006053_Ca3La2.1.cif
_cod_data_source_block           b
_cod_original_cell_volume        611.9419
_cod_original_formula_sum        'Ca3 La2.1 Ce0.9 B5 O15'
_cod_database_code               4330026
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330027
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce0.3 La2.7 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.50803
_cell_length_b                   10.50803
_cell_length_c                   6.41329
_cell_volume                     613.273
_cod_data_source_file            ic3006053_Ca3La2.7.cif
_cod_data_source_block           c
_cod_original_cell_volume        613.2734
_cod_original_formula_sum        'Ca3 La2.7 Ce0.3 B5 O15'
_cod_database_code               4330027
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330028
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce0.2 La2.8 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.51116
_cell_length_b                   10.51116
_cell_length_c                   6.41455
_cell_volume                     613.759
_cod_data_source_file            ic3006053_Ca3La2.8.cif
_cod_data_source_block           d
_cod_original_cell_volume        613.7593
_cod_original_formula_sum        'Ca3 La2.8 Ce0.2 B5 O15'
_cod_database_code               4330028
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330029
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce0.1 La2.9 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.509484(63)
_cell_length_b                   10.509484(63)
_cell_length_c                   6.418076(72)
_cell_volume                     613.901(9)
_cod_data_source_file            ic3006053_Ca3La2.9.cif
_cod_data_source_block           e
_cod_original_cell_volume        613.901(10)
_cod_original_formula_sum        'Ca3 La2.9 Ce0.1 B5 O15'
_cod_database_code               4330029
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao; Inorganic Chemistry 51 (2012) 8802–8809; doi:10.1021/ic3006053

data_4330030
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 La3 O15'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.50975
_cell_length_b                   10.50975
_cell_length_c                   6.41935
_cell_volume                     614.054
_cod_data_source_file            ic3006053_Ca3La3.cif
_cod_data_source_block           f
_cod_original_cell_volume        614.0538
_cod_original_formula_sum        'Ca3 La3 B5 O15'
_cod_database_code               4330030
Crystal structure prediction for supersaturated AZO: the case of Zn3Al2O6
Kim Rijpstra; Stefaan Cottenier; Michel Waroquier; Veronique Van Speybroeck; CrystEngComm 15 (2013) 10440–; doi:10.1039/c3ce41009a

data_3000024
_publ_section_title
;
 Crystal structure prediction for supersaturated AZO: the case of Zn3Al2O6
;
_journal_name_full               CrystEngComm
_journal_page_first              10440
_journal_paper_doi               10.1039/c3ce41009a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'Al2 O6 Zn3'
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2'
_symmetry_space_group_name_H-M   'P 1 1 m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                109.709100
_cell_formula_units_Z            1
_cell_length_a                   7.651867
_cell_length_b                   5.447268
_cell_length_c                   3.241884
_cell_volume                     127.211
_cod_data_source_file            Al2O6Zn3.cif
_cod_data_source_block           Al2O6Zn3
_cod_original_sg_symbol_H-M      'Pm     '
_cod_depositor_comments
'Releasing structure 3000024 into public domain as published material.'
_cod_database_code               3000024
_cod_struct_determination_method theoretical
_tcod_model                      DFT
_tcod_software_package           WIEN2k
_tcod_software_package_version   12.1
_[local]_theoretical_method_dft_functional PBE
_[local]_theoretical_method_dft_method all-electron
_[local]_theoretical_method_dft_basis-functions APW+lo
_[local]_theoretical_structure_prediction_strategy 'evolutionary algorithm'
Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang; Inorganic Chemistry 51 (2012) 10185–10192; doi:10.1021/ic301022g

data_4330454
_publ_section_title
;
 Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic
 Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10185
_journal_page_last               10192
_journal_paper_doi               10.1021/ic301022g
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ag2.88 Mn2 O4 Se4 Sr4'
_chemical_formula_weight         1150.87
_chemical_name_systematic        ' ?'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   4.08821(3)
_cell_length_b                   4.08821(3)
_cell_length_c                   19.1179(2)
_cell_measurement_temperature    298(2)
_cell_volume                     319.526(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        134.97600
_pd_meas_2theta_range_min        5.01100
_pd_meas_number_of_points        7646
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        134.9526
_pd_proc_2theta_range_min        4.9876
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.5715
_pd_proc_ls_prof_wR_expected     2.7979
_pd_proc_ls_prof_wR_factor       4.5702
_pd_proc_wavelength              1.54180
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     19
_refine_ls_number_reflns         230
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.3885
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_cod_data_source_file            ic301022g_si_002_1.cif
_cod_data_source_block           Sr2MnO2Ag2Se2:
_cod_original_cell_volume        319.525(5)
_cod_database_code               4330454
_pd_proc_ls_prof_cr_factor       19.7004
_pd_proc_ls_prof_cwr_factor      15.1794
_pd_proc_ls_prof_cwr_expected    9.2928
_pd_proc_ls_prof_chi2            2.6681
_pd_proc_ls_prof_echi2           2.7707
Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang; Inorganic Chemistry 51 (2012) 10185–10192; doi:10.1021/ic301022g

data_4330455
_publ_section_title
;
 Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic
 Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10185
_journal_page_last               10192
_journal_paper_doi               10.1021/ic301022g
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Co Cu2 O2 Se2 Sr2'
_chemical_formula_weight         550.55
_chemical_name_systematic        ' ?'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   4.048762(19)
_cell_length_b                   4.048762(19)
_cell_length_c                   18.3571(2)
_cell_measurement_temperature    298(2)
_cell_measurement_wavelength     1.54180
_cell_volume                     300.918(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        134.97600
_pd_meas_2theta_range_min        5.11300
_pd_meas_number_of_points        7640
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        134.9946
_pd_proc_2theta_range_min        5.1316
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.0803
_pd_proc_ls_prof_wR_expected     1.5960
_pd_proc_ls_prof_wR_factor       2.7721
_pd_proc_wavelength              1.54180
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     17
_refine_ls_number_reflns         228
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            12.8827
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_cod_data_source_file            ic301022g_si_002_2.cif
_cod_data_source_block           Sr2CoO2Cu2Se2:
_cod_original_cell_volume        300.918(3)
_cod_database_code               4330455
_pd_proc_ls_prof_cr_factor       22.3908
_pd_proc_ls_prof_cwr_factor      14.1557
_pd_proc_ls_prof_cwr_expected    8.1500
_pd_proc_ls_prof_chi2            3.0168
_pd_proc_ls_prof_echi2           3.1944
Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
Shifeng Jin; Xiaolong Chen; Jiangang Guo; Ming Lei; Jingjing Lin; Jianguo Xi; Wenjun Wang; Wanyan Wang; Inorganic Chemistry 51 (2012) 10185–10192; doi:10.1021/ic301022g

data_4330456
_publ_section_title
;
 Sr2Mn3Sb2O2 Type Oxyselenides: Structures, Magnetism, and Electronic
 Properties of Sr2AO2M2Se2 (A = Co, Mn; M = Cu, Ag)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10185
_journal_page_last               10192
_journal_paper_doi               10.1021/ic301022g
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Ag3.93 Co2 O4 Se4 Sr4'
_chemical_formula_weight         1271.89
_chemical_name_systematic        ' ?'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   4.09800(3)
_cell_length_b                   4.09800(3)
_cell_length_c                   19.4316(2)
_cell_measurement_temperature    298(2)
_cell_volume                     326.327(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        124.99100
_pd_meas_2theta_range_min        5.00400
_pd_meas_number_of_points        7059
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        124.9765
_pd_proc_2theta_range_min        4.9895
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.3549
_pd_proc_ls_prof_wR_expected     2.6222
_pd_proc_ls_prof_wR_factor       4.6643
_pd_proc_wavelength              1.54180
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     18
_refine_ls_number_reflns         223
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            13.6031
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_cod_data_source_file            ic301022g_si_002_3.cif
_cod_data_source_block           Sr2CoO2Ag2Se2:
_cod_database_code               4330456
_pd_proc_ls_prof_cr_factor       26.9985
_pd_proc_ls_prof_cwr_factor      19.7010
_pd_proc_ls_prof_cwr_expected    11.0754
_pd_proc_ls_prof_chi2            3.1641
_pd_proc_ls_prof_echi2           3.6446