LMucko/crystallography-open-database huggingface dataset:
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000346
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O2 V0.973 W0.027'
_chemical_formula_weight         86.59
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.6451
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.765868
_cell_length_b                   4.531848
_cell_length_c                   5.384223
_cell_volume                     118.465
_exptl_crystal_density_diffrn    4.8547
_pd_phase_name                   P21/c
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p025V0p975O2_F_AG45_P21overc-P42overmnm_01_6p485_mono.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000346 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000346
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000347
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.488 W0.012'
_chemical_formula_weight         43.12
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.554985
_cell_length_b                   4.554985
_cell_length_c                   2.854296
_cell_volume                     59.221
_exptl_crystal_density_diffrn    4.8358
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p025V0p975O2_F_AG45_P21overc-P42overmnm_01_6p485_tet.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000347 into public domain as published material.'
_cod_database_code               3000347
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000348
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O2 V0.957 W0.043'
_chemical_formula_weight         88.69
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.2803
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.740803
_cell_length_b                   4.593496
_cell_length_c                   5.356922
_cell_volume                     119.431
_exptl_crystal_density_diffrn    4.9326
_pd_phase_name                   P21/c
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p036V0p964O2_F_AG46_P42overmnm-P21overc_01_3p238_mono.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000348 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000348
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000349
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.481 W0.019'
_chemical_formula_weight         43.96
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.55898
_cell_length_b                   4.55898
_cell_length_c                   2.856885
_cell_volume                     59.378
_exptl_crystal_density_diffrn    4.9179
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p036V0p964O2_F_AG46_P42overmnm-P21overc_01_3p238_tet.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000349 into public domain as published material.'
_cod_database_code               3000349
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000350
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.468 W0.032'
_chemical_formula_weight         45.67
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.56274
_cell_length_b                   4.56274
_cell_length_c                   2.863021
_cell_volume                     59.604
_exptl_crystal_density_diffrn    5.0891
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            W0p063V0p957O2_F_AG47_P42overmnm_01_3p656.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000350 into public domain as published material.'
_cod_database_code               3000350
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000351
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.455 W0.045'
_chemical_formula_weight         47.4
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.566021
_cell_length_b                   4.566021
_cell_length_c                   2.868822
_cell_volume                     59.811
_exptl_crystal_density_diffrn    5.2642
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            W0p089V0p911O2_F_AG48_P42overmnm_01_3p810.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000351 into public domain as published material.'
_cod_database_code               3000351
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000352
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.448 W0.052'
_chemical_formula_weight         48.36
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.569537
_cell_length_b                   4.569537
_cell_length_c                   2.87232
_cell_volume                     59.976
_exptl_crystal_density_diffrn    5.3560
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            W0p104V0p896O2_F_AG49_P42overmnm_01_3p844.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000352 into public domain as published material.'
_cod_database_code               3000352
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000353
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.425 W0.075'
_chemical_formula_weight         51.45
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.572685
_cell_length_b                   4.572685
_cell_length_c                   2.878604
_cell_volume                     60.190
_exptl_crystal_density_diffrn    5.6777
_pd_phase_name                   P42/mnm
_pd_prep_temperature             298
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            W0p150V0p850O2_F_AG50_P42overmnm_01_4p167.cif
_cod_data_source_block           P42/mnm
_cod_depositor_comments
'Releasing structure 3000353 into public domain as published material.'
_cod_original_cell_volume        60.19
_cod_database_code               3000353
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000354
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.462 W0.038'
_chemical_formula_weight         46.55
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.56124(8)
_cell_length_b                   4.56124(8)
_cell_length_c                   2.88795(6)
_cell_measurement_temperature    90
_cell_volume                     60.0835(19)
_exptl_crystal_density_diffrn    5.1465
_pd_phase_name                   P42/mnm
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p089V0p911O2_F_AG48_90K_P42overmnm_01_3p156_phase.cif
_cod_data_source_block           W0p089V0p911O2_F_AG48_90K_P42overmnm_01
_cod_depositor_comments
'Releasing structure 3000354 into public domain as published material.'
_cod_original_cell_volume        60.0836(25)
_cod_database_code               3000354
_cod_database_fobs_code          3000354
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000355
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.453 W0.047'
_chemical_formula_weight         47.77
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.56631(9)
_cell_length_b                   4.56631(9)
_cell_length_c                   2.88937(6)
_cell_measurement_temperature    90
_cell_volume                     60.247(2)
_exptl_crystal_density_diffrn    5.2664
_pd_phase_name                   P42/mnm
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p104V0p896O2_F_AG49_90K_P42overmnm_01_6p659_phase.cif
_cod_data_source_block           W0p104V0p896O2_F_AG49_90K_P42overmnm_01
_cod_depositor_comments
'Releasing structure 3000355 into public domain as published material.'
_cod_original_cell_volume        60.2467(28)
_cod_database_code               3000355
_cod_database_fobs_code          3000355
Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)
Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky; Scientific Reports 12 (2022) 14767–; doi:

data_3000356
_publ_section_title
;
 Local structure elucidation of tungsten- substituted vanadium dioxide
 (V1-xWxO2)
;
_journal_name_full               'Scientific Reports'
_journal_page_first              14767
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'O V0.433 W0.067'
_chemical_formula_weight         50.44
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.57222(6)
_cell_length_b                   4.57222(6)
_cell_length_c                   2.86690(4)
_cell_measurement_temperature    90
_cell_volume                     59.9331(14)
_exptl_crystal_density_diffrn    5.5898
_pd_phase_name                   P42/mnm
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file
W0p150V0p850O2_F_AG50_90K_P42overmnm_01_4p138_phase.cif
_cod_data_source_block           W0p150V0p850O2_F_AG50_90K_P42overmnm_01
_cod_depositor_comments
'Releasing structure 3000356 into public domain as published material.'
_cod_original_cell_volume        59.9330(19)
_cod_database_code               3000356
_cod_database_fobs_code          3000356
Duwal, Sakun; To be published  () –; doi:

data_3000357
_journal_name_full               'To be published'
_chemical_formula_sum            Sm
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_length_a                   6.180000
_cell_length_b                   6.180000
_cell_length_c                   15.360000
_cell_volume                     508.041
_cod_database_code               3000357
_cod_hold_until_date             2022-09-12
X.-L. Shen; H. Ma; Dilip Bhoi; J. Gouchi; Y. Uwatoko; A. Dalan; Y. Kawamura; H. Sato; I. Umehara; M. Uehara; To be published in Crystals  () –; doi:

data_3000358
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Ce Zn'
_chemical_name_common            CeZn
_chemical_name_systematic        'Cerium Zinc'
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.70340(10)
_cell_length_b                   3.70340(10)
_cell_length_c                   3.70340(10)
_cell_measurement_temperature    293(2)
_cell_volume                     50.793(2)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.458
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0406
_cod_database_code               3000358
_cod_hold_until_date             2024-03-15
Pressure induced superconductivity and multiple structural transitions in CsCl-type cubic CeZn single crystal
X.-L. Shen; H. Ma; Dilip Bhoi; J. Gouchi; Y. Uwatoko; A. Dalan; Y. Kawamura; H. Sato; I. Umehara; M. Uehara; To be published in Crystals  () –; doi:

data_3000359
_publ_section_title
;
 Pressure induced superconductivity and multiple structural transitions in
 CsCl-type cubic CeZn single crystal
;
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Ce Zn'
_chemical_name_common            CeZn
_chemical_name_systematic        'Cerium Zinc'
_space_group_name_Hall           '-P 4a 2a'
_space_group_name_H-M_alt        'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.113(2)
_cell_length_b                   5.113(2)
_cell_length_c                   3.623(12)
_cell_measurement_temperature    293(2)
_cell_volume                     94.7(3)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.312
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0942
_refine_ls_wR_factor_gt          0.2365
_refine_ls_wR_factor_ref         0.2373
_cod_database_code               3000359
_cod_hold_until_date             2023-09-15
Pressure induced superconductivity and multiple structural transitions in CsCl-type cubic CeZn single crystal
X.-L. Shen; H. Ma; Dilip Bhoi; J. Gouchi; Y. Uwatoko; A. Dalan; Y. Kawamura; H. Sato; I. Umehara; M. Uehara; To be published in Crystals  () –; doi:

data_3000360
_publ_section_title
;
 Pressure induced superconductivity and multiple structural transitions in
 CsCl-type cubic CeZn single crystal
;
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Ce Zn'
_chemical_name_common            CeZn
_chemical_name_systematic        'Cerium Zinc'
_space_group_name_Hall           'P 2 -2a'
_space_group_name_H-M_alt        'P m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.966(13)
_cell_length_b                   5.157(6)
_cell_length_c                   3.5478(19)
_cell_measurement_temperature    293(2)
_cell_volume                     90.9(3)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.285
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.1114
_refine_ls_wR_factor_gt          0.2608
_refine_ls_wR_factor_ref         0.2833
_cod_database_code               3000360
_cod_hold_until_date             2023-09-15