LMucko/crystallography-open-database huggingface dataset:
Affinement de la structure avec tunnels de paires E dans un oxysulfate d'arsenic: (As2O2)(SO4)
Mercier, R.; Douglade, J.; Acta Crystallographica, Section B 38 (1982) 896–898; doi:10.1107/S0567740882004324

data_9011231
_publ_section_title
;
 Affinement de la structure avec tunnels de paires E dans un oxysulfate
 d'arsenic: (As2O2)(SO4)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              896
_journal_page_last               898
_journal_paper_doi               10.1107/S0567740882004324
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     (As2O2)(SO4)
_chemical_formula_sum            'As2 O6 S'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.628
_cell_length_b                   11.497
_cell_length_c                   4.776
_cell_formula_units_Z            2
_cell_volume                     254.122
_database_code_amcsd             0009756
_exptl_crystal_density_diffrn    3.632
_cod_original_formula_sum        'As2 S O6'
_cod_database_code               9011231
_amcsd_formula_title             (As2O2)(SO4)
The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O Locality: synthetic
Mereiter, K.; Preisinger, A.; Acta Crystallographica, Section B 38 (1982) 1084–1088; doi:10.1107/S0567740882005020

data_9011232
_publ_section_title
;The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate
 Na2[Co(NCS)4]*8H2O Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1084
_journal_page_last               1088
_journal_paper_doi               10.1107/S0567740882005020
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C4 H16 Co N4 Na2 O8 S4'
_chemical_name_mineral           Julienite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.64
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.941
_cell_length_b                   19.209
_cell_length_c                   5.460
_cell_volume                     1985.740
_database_code_amcsd             0009760
_exptl_crystal_density_diffrn    1.610
_cod_original_formula_sum        'Na2 Co S4 C4 N4 (O8 H16)'
_cod_database_code               9011232
Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2
Coing-Boyat J; Acta Crystallographica, Section B 38 (1982) 1546–1548; doi:10.1107/S0567740882006323

data_9011233
_publ_section_title
;
 Structure de la variete ordinaire, triclinique, de l'orthovanadate de
 cuivre(II), Cu3(VO4)2
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1546
_journal_page_last               1548
_journal_paper_doi               10.1107/S0567740882006323
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 O8 V2'
_chemical_name_mineral           Mcbirneyite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.22
_cell_angle_beta                 88.69
_cell_angle_gamma                68.08
_cell_length_a                   5.196
_cell_length_b                   5.355
_cell_length_c                   6.505
_cell_formula_units_Z            1
_cell_volume                     155.733
_database_code_amcsd             0009762
_exptl_crystal_density_diffrn    4.484
_cod_original_formula_sum        'Cu3 V2 O8'
_cod_database_code               9011233
Structure of alpha-BiAsO4 (rooseveltite) Note: AnisoU's from ICSD
Bedlivy, D.; Mereiter, K.; Acta Crystallographica, Section B 38 (1982) 1559–1561; doi:10.1107/S0567740882006372

data_9011234
_publ_section_title
;
 Structure of alpha-BiAsO4 (rooseveltite)
 Note: AnisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1559
_journal_page_last               1561
_journal_paper_doi               10.1107/S0567740882006372
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Bi O4'
_chemical_name_mineral           Rooseveltite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.84
_cell_angle_gamma                90
_cell_length_a                   6.879
_cell_length_b                   7.159
_cell_length_c                   6.732
_cell_formula_units_Z            4
_cell_volume                     320.471
_database_code_amcsd             0009764
_exptl_crystal_density_diffrn    7.211
_cod_original_formula_sum        'Bi As O4'
_cod_database_code               9011234
Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2 (ou As2O3*(SO3)2) Note: AnisoB's from ICSD
Mercier, R.; Douglade, J.; Acta Crystallographica, Section B 38 (1982) 1731–1735; doi:10.1107/S0567740882007055

data_9011235
_publ_section_title
;
 Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2
 (ou As2O3*(SO3)2)
 Note: AnisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1731
_journal_page_last               1735
_journal_paper_doi               10.1107/S0567740882007055
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     As2O(SO4)2
_chemical_formula_sum            'As2 O9 S2'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.34
_cell_angle_gamma                90
_cell_length_a                   6.650
_cell_length_b                   6.671
_cell_length_c                   16.612
_cell_formula_units_Z            4
_cell_volume                     734.831
_database_code_amcsd             0009768
_exptl_crystal_density_diffrn    3.236
_cod_original_formula_sum        'As2 S2 O9'
_cod_database_code               9011235
_amcsd_formula_title             As2O(SO4)2
Structure of tin(II) tin(IV) trisulphide, a redetermination
Kniep, R.; Mootz, D.; Severin, U.; Wunderlich, H.; Acta Crystallographica, Section B 38 (1982) 2022–2023; doi:10.1107/S0567740882007808

data_9011236
_publ_section_title
;
 Structure of tin(II) tin(IV) trisulphide, a redetermination
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2022
_journal_page_last               2023
_journal_paper_doi               10.1107/S0567740882007808
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S3 Sn2'
_chemical_name_mineral           Ottemannite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.878
_cell_length_b                   3.751
_cell_length_c                   14.020
_cell_formula_units_Z            4
_cell_volume                     466.885
_database_code_amcsd             0009775
_exptl_crystal_density_diffrn    4.746
_cod_original_formula_sum        'Sn2 S3'
_cod_database_code               9011236
Di-mu-hydroxo-bis[aquasulfatobismuth(III)] Locality: synthetic
Graunar, M.; Lazarini, F.; Acta Crystallographica, Section B 38 (1982) 2879–2881; doi:10.1107/S0567740882010188

data_9011237
_publ_section_title
;
 Di-mu-hydroxo-bis[aquasulfatobismuth(III)]
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2879
_journal_page_last               2881
_journal_paper_doi               10.1107/S0567740882010188
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Bi H3 O6 S'
_chemical_name_mineral           Riomarinaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.94
_cell_angle_gamma                90
_cell_length_a                   6.021
_cell_length_b                   13.363
_cell_length_c                   6.495
_cell_volume                     481.250
_exptl_crystal_density_diffrn    4.694
_cell_formula_units_Z            4
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
       Water oxygen renamed so they are recognized as oxygens
                                  miguel
;
_cod_original_formula_sum        'Bi S O6 H3'
_cod_database_code               9011237
_database_code_amcsd 0009781
catena-Di-mu-hydroxo-mu3-oxo-dibismuth(III) sulfate
Golic, L.; Graunar, M.; Lazarini, F.; Acta Crystallographica, Section B 38 (1982) 2881–2883; doi:10.1107/S056774088201019X

data_9011238
_publ_section_title
;
 catena-Di-mu-hydroxo-mu3-oxo-dibismuth(III) sulfate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2881
_journal_page_last               2883
_journal_paper_doi               10.1107/S056774088201019X
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 H2 O7 S'
_chemical_name_mineral           Cannonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.692
_cell_length_b                   13.87
_cell_length_c                   5.688
_cell_volume                     573.745
_database_code_amcsd             0009782
_exptl_crystal_density_diffrn    6.530
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'Bi2 S O7 H2'
_cod_database_code               9011238
On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
Catti, M.; Ivaldi, G.; Acta Crystallographica, Section B 39 (1983) 4–10; doi:10.1107/S0108768183001949

data_9011239
_publ_section_title
;
 On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) ->
 Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              4
_journal_page_last               10
_journal_paper_doi               10.1107/S0108768183001949
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'Sainte Marie-aux-Mines, Alsace, France'
_chemical_formula_sum            'As2 Ca3 H22 O19'
_chemical_name_mineral           Phaunouxite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.94
_cell_angle_beta                 91.67
_cell_angle_gamma                113.44
_cell_formula_units_Z            2
_cell_length_a                   12.563
_cell_length_b                   12.181
_cell_length_c                   6.205
_cell_volume                     870.796
_database_code_amcsd             0009785
_exptl_crystal_density_diffrn    2.274
_cod_original_formula_sum        'Ca3 As2 O19 H22'
_cod_database_code               9011239
On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
Catti, M.; Ivaldi, G.; Acta Crystallographica, Section B 39 (1983) 4–10; doi:10.1107/S0108768183001949

data_9011240
_publ_section_title
;
 On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) ->
 Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              4
_journal_page_last               10
_journal_paper_doi               10.1107/S0108768183001949
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'Sainte Marie-aux-Mines, Alsace, France'
_chemical_formula_sum            'As2 Ca3 H20 O18'
_chemical_name_mineral           Rauenthalite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.09
_cell_angle_beta                 79.69
_cell_angle_gamma                118.58
_cell_formula_units_Z            2
_cell_length_a                   12.564
_cell_length_b                   12.169
_cell_length_c                   6.195
_cell_volume                     812.654
_database_code_amcsd             0009786
_exptl_crystal_density_diffrn    2.363
_cod_original_formula_sum        'Ca3 As2 O18 H20'
_cod_database_code               9011240
Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD
Kato, K.; Takayama, E.; Acta Crystallographica, Section B 40 (1984) 102–105; doi:10.1107/S0108768184001828

data_9011241
_publ_section_title
;
 Das entwaesserungsverhalten des natriummetavanadatdihydrats und die
 kristallstruktur des beta-natriummetavanadats
 Note: anisoB's corrected from ICSD
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              102
_journal_page_last               105
_journal_paper_doi               10.1107/S0108768184001828
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Na O3 V'
_chemical_name_mineral           Metamunirite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.147
_cell_length_b                   3.6496
_cell_length_c                   5.364
_cell_formula_units_Z            4
_cell_volume                     276.948
_database_code_amcsd             0009802
_exptl_crystal_density_diffrn    2.924
_cod_original_formula_sum        'Na V O3'
_cod_database_code               9011241
Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II)
Maslen, E. N.; Spadaccini, N.; Watson, K. J.; Acta Crystallographica, Section B 42 (1986) 430–436; doi:10.1107/S0108768186097926

data_9011242
_publ_section_title
;
 Electron density in non-ideal metal complexes. II. Sodium
 bis(carbonato)cuprate(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              430
_journal_page_last               436
_journal_paper_doi               10.1107/S0108768186097926
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Cu Na2 O6'
_chemical_name_mineral           Juangodoyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.24
_cell_angle_gamma                90
_cell_length_a                   6.170
_cell_length_b                   8.171
_cell_length_c                   5.648
_cell_formula_units_Z            2
_cell_volume                     255.401
_database_code_amcsd             0009808
_exptl_crystal_density_diffrn    2.985
_cod_original_formula_sum        'Na2 Cu C2 O6'
_cod_database_code               9011242
Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate Locality: synthetic Note: y(O3) corrected to match reported bond lengths
Stadnicka, K.; Glazer, A. M.; Koralewski, M.; Acta Crystallographica, Section B 43 (1987) 319–325; doi:10.1107/S0108768187097787

data_9011243
_publ_section_title
;Structure, absolute configuration and optical activity of alpha-nickel
 sulfate hexahydrate Locality: synthetic Note: y(O3) corrected to match
 reported bond lengths
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              319
_journal_page_last               325
_journal_paper_doi               10.1107/S0108768187097787
_journal_volume                  43
_journal_year                    1987
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 Ni O10 S'
_chemical_name_mineral           Retgersite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.783
_cell_length_b                   6.783
_cell_length_c                   18.2880
_cell_volume                     841.414
_database_code_amcsd             0009810
_exptl_crystal_density_diffrn    2.075
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'Ni S O10 H12'
_cod_database_code               9011243
More space group changes
Marsh, E. R.; Herbstein, F. H.; Acta Crystallographica, Section B: Structural Science 44 (1988) 77–88; doi:10.1107/s0108768187009492

data_9011244
_publ_section_title
;
 More space group changes
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              77
_journal_page_last               88
_journal_paper_doi               10.1107/s0108768187009492
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        'Chia-Yi, Taiwan'
_chemical_formula_sum            'C10 H22 O3'
_chemical_name_mineral           Flagstaffite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.421
_cell_length_b                   22.791
_cell_length_c                   10.912
_cell_formula_units_Z            16
_cell_volume                     4581.218
_database_code_amcsd             0009811
_exptl_crystal_density_diffrn    1.104
_cod_original_cell_volume        4581.217
_cod_original_formula_sum        'C10 O3 H22'
_cod_database_code               9011244
More space group changes
Marsh, R. E.; Herbstein, F. H.; Acta Crystallographica, Section B: Structural Science 44 (1988) 77–88; doi:10.1107/s0108768187009492

data_9011245
_publ_section_title
;
 More space group changes
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              77
_journal_page_last               88
_journal_paper_doi               10.1107/s0108768187009492
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     C12H14N4
_chemical_formula_sum            'C3 H3.5 N'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                89.87
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.635
_cell_length_b                   26.353
_cell_length_c                   6.089
_cell_volume                     2187.913
_database_code_amcsd             0009812
_diffrn_ambient_temperature      153
_exptl_crystal_density_diffrn    1.215
_cod_original_sg_symbol_H-M      'F d d 2 1 1'
_cod_original_formula_sum        'N C3'
_cod_database_code               9011245
_amcsd_formula_title             C12H14N4
More space group changes
Marsh, R. E.; Herbstein, F. H.; Acta Crystallographica, Section B: Structural Science 44 (1988) 77–88; doi:10.1107/s0108768187009492

data_9011246
_publ_section_title
;
 More space group changes
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              77
_journal_page_last               88
_journal_paper_doi               10.1107/s0108768187009492
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     C7S2H10
_chemical_formula_sum            'C7 H10 S2'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.419
_cell_length_b                   41.077
_cell_length_c                   6.626
_cell_formula_units_Z            16
_cell_volume                     3107.980
_database_code_amcsd             0009813
_exptl_crystal_density_diffrn    1.353
_cod_original_formula_sum        'C7 S2 H10'
_cod_database_code               9011246
_amcsd_formula_title             C7S2H10
More space group changes
Marsh, R. E.; Herbstein, F. H.; Acta Crystallographica, Section B: Structural Science 44 (1988) 77–88; doi:10.1107/s0108768187009492

data_9011247
_publ_section_title
;
 More space group changes
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              77
_journal_page_last               88
_journal_paper_doi               10.1107/s0108768187009492
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     '[C(NH2)3]6[Ce(CO3)5]*4H2O'
_chemical_formula_sum            'C11 H8 Ce N18 O19'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.10
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.05
_cell_length_b                   13.14
_cell_length_c                   16.631
_cell_volume                     3333.865
_database_code_amcsd             0009814
_exptl_crystal_density_diffrn    1.666
_cod_original_cell_volume        3333.866
_cod_original_formula_sum        'C11 Ce O19 N18 H8'
_cod_database_code               9011247
_amcsd_formula_title             '[C(NH2)3]6[Ce(CO3)5]*4H2O'