LMucko/crystallography-open-database huggingface dataset:
High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions
Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai; Chemical Communications  (2022) –; doi:10.1039/D2CC01197B

data_7129999
_publ_section_title
;
 High capacity ammonia adsorption in a robust metal--organic framework
 mediated by reversible host--guest interactions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01197B
_journal_year                    2022
_chemical_formula_sum            'C8 H4 O5 Sc'
_chemical_formula_weight         225.07
_chemical_name_mineral           ?MFM-300-Sc_empty?
_space_group_IT_number           98
_space_group_name_Hall           'I 4bw 2bw'
_space_group_name_H-M_alt        'I 41 2 2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41 2 2'
_audit_update_record
;
2022-01-17 deposited with the CCDC.	2022-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.3819(3)
_cell_length_b                   15.3819(3)
_cell_length_c                   12.4454(2)
_cell_measurement_temperature    7
_cell_volume                     2944.62(9)
_diffrn_ambient_temperature      7
_diffrn_measurement_device_type  neutron
_exptl_crystal_density_diffrn    1.082
_exptl_crystal_description       powder
_pd_proc_ls_prof_R_factor        1.42
_pd_proc_ls_prof_wR_expected     0.41
_pd_proc_ls_prof_wR_factor       1.54
_refine_ls_goodness_of_fit_all   3.77
_cod_data_source_file            d2cc01197b2.cif
_cod_data_source_block           1
_cod_original_cell_volume        2944.62(12)
_cod_original_sg_symbol_H-M      I4122
_cod_database_code               7129999
High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions
Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai; Chemical Communications  (2022) –; doi:10.1039/D2CC01197B

data_7130000
_publ_section_title
;
 High capacity ammonia adsorption in a robust metal--organic framework
 mediated by reversible host--guest interactions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01197B
_journal_year                    2022
_chemical_formula_sum            'C64 H32 D15 N5 O40 Sc8'
_chemical_formula_weight         1900.78
_chemical_name_mineral           ?MFM-300-Sc_1ND3?
_space_group_IT_number           98
_space_group_name_Hall           'I 4bw 2bw'
_space_group_name_H-M_alt        'I 41 2 2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41 2 2'
_audit_update_record
;
2022-01-17 deposited with the CCDC.	2022-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   15.3970(3)
_cell_length_b                   15.3970(3)
_cell_length_c                   12.4104(2)
_cell_measurement_temperature    7
_cell_volume                     2942.10(9)
_diffrn_ambient_temperature      7
_diffrn_measurement_device_type  neutron
_exptl_crystal_density_diffrn    1.073
_exptl_crystal_description       powder
_pd_proc_ls_prof_R_factor        1.42
_pd_proc_ls_prof_wR_expected     0.41
_pd_proc_ls_prof_wR_factor       1.54
_refine_ls_goodness_of_fit_all   3.77
_cod_data_source_file            d2cc01197b2.cif
_cod_data_source_block           1_CCDC1
_cod_original_cell_volume        2942.08(13)
_cod_original_sg_symbol_H-M      I4122
_cod_database_code               7130000
High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions
Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai; Chemical Communications  (2022) –; doi:10.1039/D2CC01197B

data_7130001
_publ_section_title
;
 High capacity ammonia adsorption in a robust metal--organic framework
 mediated by reversible host--guest interactions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01197B
_journal_year                    2022
_chemical_formula_sum            'C8 H4 D3.91 N1.3 O5 Sc'
_chemical_formula_weight         251.21
_chemical_name_mineral           ?MFM-300-Sc_3ND3?
_space_group_IT_number           98
_space_group_name_Hall           'I 4bw 2bw'
_space_group_name_H-M_alt        'I 41 2 2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41 2 2'
_audit_update_record
;
2022-01-17 deposited with the CCDC.	2022-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.4020(3)
_cell_length_b                   15.4020(3)
_cell_length_c                   12.3825(3)
_cell_measurement_temperature    7
_cell_volume                     2937.40(11)
_diffrn_ambient_temperature      7
_diffrn_measurement_device_type  neutron
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_description       powder
_pd_proc_ls_prof_R_factor        1.39
_pd_proc_ls_prof_wR_expected     0.36
_pd_proc_ls_prof_wR_factor       1.54
_refine_ls_goodness_of_fit_all   4.34
_cod_data_source_file            d2cc01197b2.cif
_cod_data_source_block           1_CCDC2
_cod_original_cell_volume        2937.43(14)
_cod_original_sg_symbol_H-M      I4122
_cod_original_formula_sum        'C8 H4 D3.91 N1.30 O5 Sc'
_cod_database_code               7130001
Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara; To be published  () –; doi:

data_3000371
_journal_name_full               'To be published'
_chemical_formula_sum            'Ga0.1 La0.7 Mn0.9 O3 Sr0.3'
_chemical_name_common
'Lanthanum strontium manganese(III) manganese(IV) gallium oxide'
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.5098
_cell_length_b                   5.5098
_cell_length_c                   13.3625
_cell_volume                     351.310
_cod_database_code               3000371
_cod_hold_until_date             2022-09-27
Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara; To be published  () –; doi:

data_3000372
_journal_name_full               'To be published'
_chemical_formula_sum            'Co0.1 La0.7 Mn0.9 O3 Sr0.3'
_chemical_name_common
'Lanthanum strontium manganese cobalt oxide (0.7/0.3/0.9/0.1/3)'
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.5044
_cell_length_b                   5.5044
_cell_length_c                   13.3483
_cell_volume                     350.249
_cod_database_code               3000372
_cod_hold_until_date             2022-09-28
Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara; To be published  () –; doi:

data_3000373
_journal_name_full               'To be published'
_chemical_formula_sum            'Al0.1 La0.7 Mn0.9 O3 Sr0.3'
_chemical_name_common
'Lanthanum strontium manganese aluminium oxide(0.7/0.3/0.9/0.1/3)'
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4784
_cell_length_b                   5.4784
_cell_length_c                   13.4848
_cell_volume                     350.496
_cod_database_code               3000373
_cod_hold_until_date             2022-09-28
Hiroki Sawaguri; Nobuyuki Gokon; Kosuke Hayashi; Yoshikazu Iwamura; Daichi Yasuhara; To be published  () –; doi:

data_3000374
_journal_name_full               'To be published'
_chemical_formula_sum            'La0.7 Mn0.9 Ni0.1 O3 Sr0.3'
_chemical_name_common
'Lanthanum strontium manganese nickel oxide (0.7/0.3/0.9/0.1/3)'
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4976
_cell_length_b                   5.4976
_cell_length_c                   13.3374
_cell_volume                     349.099
_cod_database_code               3000374
_cod_hold_until_date             2022-09-28
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_3000375
_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 Sc0.005 V0.995'
_chemical_formula_weight         82.91
_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                 122.6058
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.755932
_cell_length_b                   4.528083
_cell_length_c                   5.385573
_cell_volume                     118.244
_exptl_crystal_density_diffrn    4.6573
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p005V0p995O2_F_PC1_P21overc_01_6p300.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000375 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000375
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_3000376
_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 Sc0.007 V0.993'
_chemical_formula_weight         82.9
_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                 122.5935
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.755554
_cell_length_b                   4.527687
_cell_length_c                   5.384285
_cell_volume                     118.214
_exptl_crystal_density_diffrn    4.6577
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p0075V0p9925O2_F_PC7_P21overc_01_10p456.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000376 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000376
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_3000377
_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 Sc0.003 V0.997'
_chemical_formula_weight         82.92
_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                 122.6167
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.756384
_cell_length_b                   4.528615
_cell_length_c                   5.386136
_cell_volume                     118.265
_exptl_crystal_density_diffrn    4.6573
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p015V0p985O2_F_PC2_P21overc_01_12p566.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000377 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000377
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_3000378
_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 Sc0.018 V0.982'
_chemical_formula_weight         82.84
_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                 122.6028
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.754162
_cell_length_b                   4.527055
_cell_length_c                   5.384134
_cell_volume                     118.153
_exptl_crystal_density_diffrn    4.6567
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p0175V0p9825O2_F_PC8_P21overc_01_8p185.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000378 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000378
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_3000379
_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 Sc0.021 V0.979'
_chemical_formula_weight         82.81
_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                 122.5849
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.755693
_cell_length_b                   4.527684
_cell_length_c                   5.383801
_cell_volume                     118.217
_exptl_crystal_density_diffrn    4.6529
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p0375V0p9625O2_F_PC11_P21overc_01_14p158.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000379 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000379
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_3000380
_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 Sc0.015 V0.985'
_chemical_formula_weight         82.85
_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                 122.6128
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.756596
_cell_length_b                   4.528448
_cell_length_c                   5.386749
_cell_volume                     118.284
_exptl_crystal_density_diffrn    4.6525
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p03V0p97O2_F_PC3_P21overc_01_10p846.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000380 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000380
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_3000381
_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 Sc0.047 V0.953'
_chemical_formula_weight         82.66
_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                 122.5822
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.755818
_cell_length_b                   4.52814
_cell_length_c                   5.384144
_cell_volume                     118.243
_exptl_crystal_density_diffrn    4.6434
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Sc0p0475V0p9525O2_F_PC13_P21overc_01_15p992.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000381 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000381
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_3000382
_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            'Cr0.005 O2 V0.995'
_chemical_formula_weight         82.95
_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                 122.5878
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.753169
_cell_length_b                   4.526911
_cell_length_c                   5.381891
_cell_volume                     118.100
_exptl_crystal_density_diffrn    4.6650
_pd_phase_name                   P21/c
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Cr0p005V0p995O2_MW_AG82_P21overc_01_6p418.cif
_cod_data_source_block           P21/c
_cod_depositor_comments
'Releasing structure 3000382 into public domain as published material.'
_cod_original_cell_volume        118.1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000382
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_3000383
_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            'Cr0.02 O4 V1.98'
_chemical_formula_weight         165.9
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.1962
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.065126
_cell_length_b                   5.767309
_cell_length_c                   4.522985
_cell_volume                     236.416
_exptl_crystal_density_diffrn    4.6610
_pd_phase_name                   C2/m
_journal_article_reference       https://doi.org/10.1038/s41598-022-18575-0
_cod_data_source_file            Cr0p01V0p99O2_MW_AG83_C2overm_01_11p261.cif
_cod_data_source_block           C2/m
_cod_depositor_comments
'Releasing structure 3000383 into public domain as published material.'
_cod_database_code               3000383