LMucko/crystallography-open-database huggingface dataset:
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101160
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C31 H38 B8 Cu Fe2 O7 P'
_chemical_formula_weight         815.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.175(6)
_cell_angle_beta                 110.698(5)
_cell_angle_gamma                106.957(5)
_cell_formula_units_Z            2
_cell_length_a                   11.4290(14)
_cell_length_b                   12.8599(17)
_cell_length_c                   14.3117(18)
_cell_measurement_temperature    110(2)
_cell_volume                     1829.3(4)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.480
_cod_duplicate_entry             4300716
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101160
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101161
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C31 H38 Ag B8 Fe2 O7 P'
_chemical_formula_weight         859.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.590(4)
_cell_angle_beta                 112.387(4)
_cell_angle_gamma                104.934(4)
_cell_formula_units_Z            2
_cell_length_a                   11.5823(17)
_cell_length_b                   12.8429(19)
_cell_length_c                   14.420(2)
_cell_measurement_temperature    110(2)
_cell_volume                     1851.6(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.542
_cod_duplicate_entry             4300717
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101161
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.; Inorganic Chemistry 45 (2006) 2669–2677; doi:10.1021/ic051946i

data_1101162
_publ_section_title
;
 Ten-Vertex Iron--Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2669
_journal_page_last               2677
_journal_paper_doi               10.1021/ic051946i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C15 H40 B8 Fe O2 P2'
_chemical_formula_weight         456.74
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.448(5)
_cell_angle_beta                 90.694(4)
_cell_angle_gamma                90.124(4)
_cell_formula_units_Z            4
_cell_length_a                   12.6993(14)
_cell_length_b                   13.4499(16)
_cell_length_c                   15.9396(18)
_cell_measurement_temperature    110(2)
_cell_volume                     2478.2(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.224
_cod_duplicate_entry             4300718
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101162
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
Kabbour, Houria; Cario, Laurent; Inorganic Chemistry 45 (2006) 2713–2717; doi:10.1021/ic051969x

data_1101163
_publ_section_title
;
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series 
Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2713
_journal_page_last               2717
_journal_paper_doi               10.1021/ic051969x
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Ba F Sb Se2'
_chemical_formula_weight         436.01
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.34(3)
_cell_angle_beta                 85.18(3)
_cell_angle_gamma                89.82(3)
_cell_formula_units_Z            4
_cell_length_a                   6.1944(12)
_cell_length_b                   6.3315(13)
_cell_length_c                   13.804(3)
_cell_measurement_temperature    293(2)
_cell_volume                     537.67(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.386
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101163
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
Kabbour, Houria; Cario, Laurent; Inorganic Chemistry 45 (2006) 2713–2717; doi:10.1021/ic051969x

data_1101164
_publ_section_title
;
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series 
Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2713
_journal_page_last               2717
_journal_paper_doi               10.1021/ic051969x
_journal_volume                  45
_journal_year                    2006
_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            ?
_cell_length_a                   4.19264(10)
_cell_length_b                   4.19264(10)
_cell_length_c                   14.2145(4)
_cell_volume                     249.866(11)
_pd_proc_ls_prof_R_factor        2.7761
_pd_proc_ls_prof_wR_factor       3.8695
_refine_ls_R_I_factor            4.7920
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               1101164
_pd_proc_ls_prof_cr_factor       13.7637
_pd_proc_ls_prof_cwr_factor      11.8787
Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^
Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich; Inorganic Chemistry 45 (2006) 2394–2396; doi:10.1021/ic052131c

data_1101165
_publ_section_title
;
 Synthesis and Structure of Asymmetric Zirconium-Substituted
 Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(\b-SiW~10~O~37~)~3~]^14-^
 and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(\b-SiW~10~O~37~)~2~]^10-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2394
_journal_page_last               2396
_journal_paper_doi               10.1021/ic052131c
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'H67 K14 O148.5 Si3 W30 Zr6'
_chemical_formula_weight         9138.2
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.802(3)
_cell_angle_beta                 94.962(4)
_cell_angle_gamma                96.489(3)
_cell_formula_units_Z            2
_cell_length_a                   12.7321(9)
_cell_length_b                   20.865(2)
_cell_length_c                   29.018(3)
_cell_measurement_temperature    173(2)
_cell_volume                     7527.0(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    3.933
_refine_diff_density_rms         0.880
_cod_duplicate_entry             4300751
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101165
Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^
Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich; Inorganic Chemistry 45 (2006) 2394–2396; doi:10.1021/ic052131c

data_1101166
_publ_section_title
;
 Synthesis and Structure of Asymmetric Zirconium-Substituted
 Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(\b-SiW~10~O~37~)~3~]^14-^
 and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(\b-SiW~10~O~37~)~2~]^10-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   6
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2394
_journal_page_last               2396
_journal_paper_doi               10.1021/ic052131c
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'H54 K10 O104 Si2 W20 Zr4'
_chemical_formula_weight         6207.6
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   39.789(2)
_cell_length_b                   19.7049(8)
_cell_length_c                   12.9402(4)
_cell_measurement_temperature    173(2)
_cell_volume                     10145.6(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    4.028
_refine_diff_density_rms         0.558
_cod_duplicate_entry             4300752
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1101166
Ca~3~Mn~2~O~7~
Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine; Acta Crystallographica, Section C: Crystal Structure Communications 58 (2002) i3–i5; doi:10.1107/S0108270101018492

data_1101167
_publ_section_title
;
 Ca~3~Mn~2~O~7~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              i3
_journal_page_last               i5
_journal_paper_doi               10.1107/S0108270101018492
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Ca3 Mn2 O7'
_chemical_formula_weight         342.1
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2347
_cell_length_b                   5.2421
_cell_length_c                   19.4177
_cell_measurement_temperature    298
_cell_volume                     532.8376
_exptl_crystal_density_diffrn    4.266
_cod_duplicate_entry             2012432
_cod_depositor_comments
;
 Moving the _atom_site_adp_type data item from the _atom_site_aniso
 loop to the _atom_site loop.

 Antanas Vaitkus,
 2017-01-10
;
_cod_database_code               1101167
St210499->St100gnn

data_1101168
_publ_section_title              St210499->St100gnn
_chemical_formula_sum            'Al2 O3'
_chemical_name_common            'eta- Al-oxid_fit2gnn'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F d -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   7.932(4)
_cell_length_b                   7.932
_cell_length_c                   7.932
_cod_database_code               1101168
Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O
Jung-Ho Son; Young-Uk Kwon; Inorganic Chemistry 43 (2004) 1929–1932; doi:10.1021/ic035278h

data_1101169
_publ_section_title
;
Crystal Engineering through Face Interactions between Tetrahedral and
Octahedral Building Blocks: Crystal Structure of
[\e-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1929
_journal_page_last               1932
_journal_paper_doi               10.1021/ic035278h
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         '[e-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O'
_chemical_formula_sum            'Al13 O82.1 V3 W5.98'
_chemical_formula_weight         2915.89
_chemical_name_common            (Al13)2(V2W4)3
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.526(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   44.567(10)
_cell_length_b                   25.766(7)
_cell_length_c                   20.626(5)
_cell_measurement_temperature    293(2)
_cell_volume                     22928(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.689
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Al13 O82.10 V3 W5.98'
_cod_database_code               1101169
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101175
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C0.5 H2 O2.5 P0.5 V0.5'
_chemical_formula_weight         88.98
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   7.4670(5)
_cell_length_b                   13.8824(9)
_cell_length_c                   9.3289(6)
_cell_measurement_temperature    90(2)
_cell_volume                     967.03(11)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.445
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C0.50 H2 O2.50 P0.50 V0.50'
_cod_database_code               1101175
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101176
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C0.75 H3 O2.75 P0.5 V0.5'
_chemical_formula_weight         96.99
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   7.4265(13)
_cell_length_b                   9.3477(16)
_cell_length_c                   16.793(3)
_cell_measurement_temperature    90(2)
_cell_volume                     1165.8(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.210
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C0.75 H3 O2.75 P0.50 V0.50'
_cod_database_code               1101176
Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels
Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon; Inorganic Chemistry 45 (2006) 3224–3239; doi:10.1021/ic0517422

data_1101177
_publ_section_title
;
 Structural Diversity of the Oxovanadium Organodiphosphonate System:
 A Platform for the Design of Void Channels
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3224
_journal_page_last               3239
_journal_paper_doi               10.1021/ic0517422
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C H4 O3 P0.5 V0.5'
_chemical_formula_weight         105.00
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   7.4362(5)
_cell_length_b                   19.1491(12)
_cell_length_c                   9.3446(6)
_cell_measurement_temperature    90(2)
_cell_volume                     1330.64(15)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    2.096
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C H4 O3 P0.50 V0.50'
_cod_database_code               1101177