LMucko/crystallography-open-database huggingface dataset:
Structure cristalline du sulfate acide d'indium(III) hydrate
Tudo, J; Jolibois, B; Laplace, G; Nowogrocki, G; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1580–1583; doi:10.1107/S0567740879007172

data_1004045
_publ_section_title
;
Structure cristalline du sulfate acide d'indium(III) hydrate
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1580
_journal_page_last               1583
_journal_paper_doi               10.1107/S0567740879007172
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'H In (S O4)2 (H2 O)4'
_chemical_formula_sum            'H9 In O12 S2'
_chemical_name_systematic        'Indium hydrogenbis(sulfate) tetrahydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.997(3)
_cell_length_b                   5.477(2)
_cell_length_c                   18.443(10)
_cell_volume                     1009.8
_exptl_crystal_density_meas      2.48
_refine_ls_R_factor_all          0.033
_cod_database_code               1004045
Determination de la structure cristalline du ferrite de baryium Ba Fe~6~ O~11~
Boivin, J C; Thomas, D; Pouillard, G; Perrot, P; Journal of Solid State Chemistry 29 (1979) 101–108; doi:10.1016/0022-4596(79)90213-5

data_1004046
_publ_section_title
;
Determination de la structure cristalline du ferrite de baryium Ba
Fe~6~ O~11~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               108
_journal_paper_doi               10.1016/0022-4596(79)90213-5
_journal_volume                  29
_journal_year                    1979
_chemical_formula_structural     'Ba2 Fe6 O11'
_chemical_formula_sum            'Ba2 Fe6 O11'
_chemical_name_systematic        'Dibarium hexairon(III) oxide'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.024(10)
_cell_length_b                   5.181(3)
_cell_length_c                   8.900(4)
_cell_volume                     1061.7
_exptl_crystal_density_meas      4.96
_refine_ls_R_factor_all          0.045
_cod_database_code               1004046
L A Os~2~ O~10~, a new compound containing isolated clusters Os~2~ O~10~ with metal-metal bonds
Abraham, F; Trehoux, J; Thomas, D; Journal of Solid State Chemistry 29 (1979) 73–79; doi:10.1016/0022-4596(79)90210-X

data_1004047
_publ_section_title
;
 L A Os~2~ O~10~, a new compound containing isolated clusters Os~2~
O~10~ with metal-metal bonds
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1016/0022-4596(79)90210-X
_journal_volume                  29
_journal_year                    1979
_chemical_formula_structural     'La3 Os2 O10'
_chemical_formula_sum            'La3 O10 Os2'
_chemical_name_systematic        'Trilanthanum decaoxodiosmate(II)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.76(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.911(2)
_cell_length_b                   7.963(2)
_cell_length_c                   6.966(2)
_cell_volume                     395.2
_refine_ls_R_factor_all          0.025
_cod_database_code               1004047
Potassium Diaquatetrabromoindate(III)
Wignacourt, J P; Mairesse, G; Barbier, P; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 669–671; doi:10.1107/S0567740880004062

data_1004048
_publ_section_title              'Potassium Diaquatetrabromoindate(III)'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              669
_journal_page_last               671
_journal_paper_doi               10.1107/S0567740880004062
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'K (In Br4 (H2 O)2)'
_chemical_formula_sum            'Br4 H4 In K O2'
_chemical_name_systematic        'Potassium Diaquatetrabromoindate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 113.38(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.852(15)
_cell_length_b                   11.984(8)
_cell_length_c                   6.996(6)
_cell_volume                     527.3
_refine_ls_R_factor_all          0.046
_cod_original_formula_sum        'H4 Br4 In K O2'
_cod_database_code               1004048
La~3.5~ Ru~4~ O~13~: Un Nouveau Compose a Feuillets de Type Perovskite
Abraham, F; Trehoux, J; Thomas, D; Journal of Solid State Chemistry 32 (1980) 151–160; doi:10.1016/0022-4596(80)90561-7

data_1004049
_publ_section_title
;
La~3.5~ Ru~4~ O~13~: Un Nouveau Compose a Feuillets de Type Perovskite
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              151
_journal_page_last               160
_journal_paper_doi               10.1016/0022-4596(80)90561-7
_journal_volume                  32
_journal_year                    1980
_chemical_formula_structural     'La3.5 Ru4 O13'
_chemical_formula_sum            'La3.5 O13 Ru4'
_chemical_name_systematic        'LANTHANUM RUTHENIUM OXIDE (3.5/4/13)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.994
_cell_length_b                   5.609
_cell_length_c                   3.856
_cell_volume                     259.4
_refine_ls_R_factor_all          0.029
_cod_database_code               1004049
A new tungsten trioxide hydrate, W O~3~ (H~2~ O)~0.33~: Preparation, characterization and crystallographic study
Gerand, B; Nowogrocki, G; Figlarz, M; Journal of Solid State Chemistry 38 (1981) 312–320; doi:10.1016/0022-4596(81)90062-1

data_1004050
_publ_section_title
;
A new tungsten trioxide hydrate, W O~3~ (H~2~ O)~0.33~: Preparation,
characterization and crystallographic study
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              312
_journal_page_last               320
_journal_paper_doi               10.1016/0022-4596(81)90062-1
_journal_volume                  38
_journal_year                    1981
_chemical_formula_structural     'W O3 (H2 O)0.33'
_chemical_formula_sum            'H0.66 O3.33 W'
_chemical_name_systematic        'Tungsten oxide 0.3-hydrate'
_space_group_IT_number           42
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   7.359(3)
_cell_length_b                   12.513(6)
_cell_length_c                   7.704(5)
_cell_volume                     709.4
_refine_ls_R_factor_all          0.057
_cod_original_formula_sum        'H.66 O3.33 W'
_cod_database_code               1004050
Etude structurale de Cu Bi~2~ O~4~
Boivin, J C; Trehoux, J; Thomas, D; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 99 (1976) 193–196; doi:

data_1004051
_publ_section_title              'Etude structurale de Cu Bi~2~ O~4~'
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              193
_journal_page_last               196
_journal_volume                  99
_journal_year                    1976
_chemical_formula_structural     'Cu Bi2 O4'
_chemical_formula_sum            'Bi2 Cu O4'
_chemical_name_systematic        'Bismuth copper oxide'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.510(1)
_cell_length_b                   8.510(1)
_cell_length_c                   5.814(1)
_cell_volume                     421.1
_exptl_crystal_density_meas      8.56(9)
_refine_ls_R_factor_all          0.054
_cod_original_sg_symbol_H-M      'P 4/n c c S'
_cod_database_code               1004051
Etude structurale du conducteur anionique Bi~0.765~ Sr~0.235~ O~1.383~
Conflant, P; Boivin, J C; Thomas, D; Journal of Solid State Chemistry 35 (1980) 192–199; doi:10.1016/0022-4596(80)90493-4

data_1004052
_publ_section_title
;
Etude structurale du conducteur anionique Bi~0.765~ Sr~0.235~ O~1.383~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              192
_journal_page_last               199
_journal_paper_doi               10.1016/0022-4596(80)90493-4
_journal_volume                  35
_journal_year                    1980
_chemical_formula_analytical     'Bi0.765 Sr0.235 O1.383'
_chemical_formula_structural     'Bi.76 Sr.23 O1.11'
_chemical_formula_sum            'Bi0.76 O1.11 Sr0.23'
_chemical_name_systematic        'Bismuth strontium oxide (.8/.2/1.1)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                23.49
_cell_angle_beta                 23.49
_cell_angle_gamma                23.49
_cell_formula_units_Z            3
_cell_length_a                   9.75
_cell_length_b                   9.75
_cell_length_c                   9.75
_cell_volume                     129.3
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_original_formula_sum        'Bi.76 O1.11 Sr.23'
_cod_database_code               1004052
The Low-Temperature Forms of some M(I)~3~ M(III) (X O~4~)~3~ Compounds: Structure of Triammonium indium(III) Trisulfate
Jolibois, B; Laplace, G; Abraham, F; Nowogrocki, G; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2517–2519; doi:10.1107/S0567740880009338

data_1004053
_publ_section_title
;
The Low-Temperature Forms of some M(I)~3~ M(III) (X O~4~)~3~ Compounds:
Structure of Triammonium indium(III) Trisulfate
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2517
_journal_page_last               2519
_journal_paper_doi               10.1107/S0567740880009338
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     '(N H4)3 In (S O4)3'
_chemical_formula_sum            'H12 In N3 O12 S3'
_chemical_name_systematic        'Triammonium indium sulfate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 108.28(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.963(7)
_cell_length_b                   15.644(15)
_cell_length_c                   9.131(6)
_cell_volume                     1215.7
_refine_ls_R_factor_all          0.015
_cod_database_code               1004053
Lithium Tetrakis(chlorosulfato)borate
Mairesse, G; Drache, M; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2767–2768; doi:10.1107/S0567740880009958

data_1004054
_publ_section_title              'Lithium Tetrakis(chlorosulfato)borate'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2767
_journal_page_last               2768
_journal_paper_doi               10.1107/S0567740880009958
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Li (B (S O3 Cl)4)'
_chemical_formula_sum            'B Cl4 Li O12 S4'
_chemical_name_systematic        'Lithium tetrakis(chlorosulfato)borate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 91.89(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.832(5)
_cell_length_b                   8.388(4)
_cell_length_c                   20.765(8)
_cell_volume                     1537.5
_refine_ls_R_factor_all          0.04
_cod_database_code               1004054
Determination de la structure du chlorure de ruthenium(II) hexaammine. Longueur de la liaison ruthenium(II) - azote.
Trehoux, J; Nowogrocki, G; Thomas, D; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 274 (1972) 1384–1387; doi:

data_1004055
_publ_section_title
;
Determination de la structure du chlorure de ruthenium(II) hexaammine.
Longueur de la liaison ruthenium(II) - azote.
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1384
_journal_page_last               1387
_journal_volume                  274
_journal_year                    1972
_chemical_formula_structural     '(Ru (N H3)6) Cl2'
_chemical_formula_sum            'Cl2 H18 N6 Ru'
_chemical_name_systematic        'Hexaammineruthenium(II) chloride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.048(3)
_cell_length_b                   10.048(3)
_cell_length_c                   10.048(3)
_cell_volume                     1014.5
_refine_ls_R_factor_all          0.038
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H18 Cl2 N6 Ru'
_cod_database_code               1004055
Structure cristalline de Bi~3~ Ru~3~ O~11~
Abraham, F; Thomas, D; Nowogrocki, G; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 98 (1975) 25–29; doi:

data_1004056
_publ_section_title              'Structure cristalline de Bi~3~ Ru~3~ O~11~'
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              25
_journal_page_last               29
_journal_volume                  98
_journal_year                    1975
_chemical_formula_structural     'Bi3 Ru3 O11'
_chemical_formula_sum            'Bi3 O11 Ru3'
_chemical_name_systematic        'Tribismuth triruthenium undecaoxide'
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.302
_cell_length_b                   9.302
_cell_length_c                   9.302
_cell_volume                     804.9
_exptl_crystal_density_meas      8.8
_refine_ls_R_factor_all          0.069
_cod_original_sg_symbol_H-M      'P n -3 Z'
_cod_database_code               1004056
_cod_duplicate_entry 1004040
Structural study of a new hexagonal form of tungsten trioxide
Gerand, B; Nowogrocki, G; Guenot, J; Figlarz, M; Journal of Solid State Chemistry 29 (1979) 429–434; doi:10.1016/0022-4596(79)90199-3

data_1004057
_publ_section_title
;
Structural study of a new hexagonal form of tungsten trioxide
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              429
_journal_page_last               434
_journal_paper_doi               10.1016/0022-4596(79)90199-3
_journal_volume                  29
_journal_year                    1979
_chemical_formula_structural     'W O3'
_chemical_formula_sum            'O3 W'
_chemical_name_systematic        'TUNGSTEN OXIDE'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.298(2)
_cell_length_b                   7.298(2)
_cell_length_c                   3.899(2)
_cell_volume                     179.8
_exptl_crystal_density_meas      6.36
_refine_ls_R_factor_all          0.055
_cod_database_code               1004057
On Basic Thallium Sulfates: Structure of Tl~2~ Tl OH(SO~4~)~2~
Abraham, F; Nowogrocki, G; Jolibois, B; Laplace, G; Journal of Solid State Chemistry 47 (1983) 1–5; doi:10.1016/0022-4596(83)90033-6

data_1004058
_publ_section_title
;
On Basic Thallium Sulfates: Structure of Tl~2~ Tl OH(SO~4~)~2~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               5
_journal_paper_doi               10.1016/0022-4596(83)90033-6
_journal_volume                  47
_journal_year                    1983
_chemical_formula_structural     'Tl2 Tl O H (S O4)2'
_chemical_formula_sum            'H O9 S2 Tl3'
_chemical_name_systematic
;
Dithallium thallium(III) hydroxide bis(sulfate)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.91(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.758(3)
_cell_length_b                   17.587(9)
_cell_length_c                   7.356(3)
_cell_volume                     870.0
_refine_ls_R_factor_all          0.033
_cod_database_code               1004058
Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K, Rb, Cs, NO, NH~4~) a l'Etat Solide
Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P; Journal of Raman Spectroscopy 9 (1980) 55–61; doi:10.1002/jrs.1250090113

data_1004059
_publ_section_title
;
Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des
Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K,
Rb, Cs, NO, NH~4~) a l'Etat Solide
;
_journal_coden_ASTM              JRSPAF
_journal_name_full               'Journal of Raman Spectroscopy'
_journal_page_first              55
_journal_page_last               61
_journal_paper_doi               10.1002/jrs.1250090113
_journal_volume                  9
_journal_year                    1980
_chemical_formula_structural     'Na (Al Cl4)'
_chemical_formula_sum            'Al Cl4 Na'
_chemical_name_systematic        'Sodium tetrachloroaluminate'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.322(3)
_cell_length_b                   9.886(3)
_cell_length_c                   6.167(2)
_cell_volume                     629.3
_refine_ls_R_factor_all          0.025
_cod_database_code               1004059
Nitrosyl tetrachloroaluminate N O Al Cl~4~
Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F; Crystal Structure Communications 5 (1976) 633–637; doi:

data_1004060
_publ_section_title              'Nitrosyl tetrachloroaluminate N O Al Cl~4~'
_journal_coden_ASTM              CSCMCS
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              633
_journal_page_last               637
_journal_volume                  5
_journal_year                    1976
_chemical_formula_structural     'N O Al Cl4'
_chemical_formula_sum            'Al Cl4 N O'
_chemical_name_systematic        'Nitrosyl tetrachloroaluminate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   10.411(8)
_cell_length_b                   7.055(3)
_cell_length_c                   9.461(5)
_cell_volume                     694.9
_exptl_crystal_density_meas      1.85
_refine_ls_R_factor_all          0.042
_cod_database_code               1004060