LMucko/crystallography-open-database huggingface dataset:
Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents
Bertaut, E F; Dulac, J; Journal of Physics and Chemistry of Solids 21 (1961) 118–119; doi:10.1016/0022-3697(61)90220-7

data_1008161
_publ_section_title
;
Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              118
_journal_page_last               119
_journal_paper_doi               10.1016/0022-3697(61)90220-7
_journal_volume                  21
_journal_year                    1961
_chemical_formula_structural     'Rh Li O2'
_chemical_formula_sum            'Li O2 Rh'
_chemical_name_systematic        'Rhodium(III) lithium oxide'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.02
_cell_length_b                   3.02
_cell_length_c                   14.3
_cell_volume                     112.9
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008161
Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents
Bertaut, E F; Dulac, J; Journal of Physics and Chemistry of Solids 21 (1961) 118–119; doi:10.1016/0022-3697(61)90220-7

data_1008162
_publ_section_title
;
Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              118
_journal_page_last               119
_journal_paper_doi               10.1016/0022-3697(61)90220-7
_journal_volume                  21
_journal_year                    1961
_chemical_formula_structural     'Rh Cu O2'
_chemical_formula_sum            'Cu O2 Rh'
_chemical_name_systematic        'Rhodium(III) copper oxide'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.075
_cell_length_b                   3.075
_cell_length_c                   17.165
_cell_volume                     140.6
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008162
Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature
Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.; Materials Research Bulletin 19 (1984) 407–414; doi:10.1016/0025-5408(84)90099-0

data_1008163
_publ_section_title
;
 Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la
 Maille Cristalline de la Phase \a Ferroelectrique Basse Temperature
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   4
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              407
_journal_page_last               414
_journal_paper_doi               10.1016/0025-5408(84)90099-0
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Pb3 V2 O8'
_chemical_formula_sum            'O8 Pb3 V2'
_chemical_name_systematic        'Trilead vanadate - \a'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'A 2y'
_symmetry_space_group_name_H-M   'A 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.63(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.460(1)
_cell_length_b                   6.191(1)
_cell_length_c                   9.348(1)
_cell_volume                     385.9
_refine_ls_R_factor_all          0.04
_cod_database_code               1008163
Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la Maille Cristalline de la Phase α Ferroelectrique Basse Temperature
Garnier, P.; Calvarin, G.; Berar, J. F.; Weigel, D.; Materials Research Bulletin 19 (1984) 407–414; doi:10.1016/0025-5408(84)90099-0

data_1008164
_publ_section_title
;
 Etude des Phases Ferroelastiques de Pb~3~V~2~O~8~: Determination de la
 Maille Cristalline de la Phase \a Ferroelectrique Basse Temperature
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   4
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              407
_journal_page_last               414
_journal_paper_doi               10.1016/0025-5408(84)90099-0
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Pb3 V2 O8'
_chemical_formula_sum            'O8 Pb3 V2'
_chemical_name_systematic        'Trilead vanadate - \b'
_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                 115.20(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.514(1)
_cell_length_b                   6.107(1)
_cell_length_c                   9.526(1)
_cell_volume                     395.5
_refine_ls_R_factor_all          0.045
_cod_database_code               1008164
Synthese et structure crystalline d'un nouvel oxyde mixte "Fe V~3~ O~8~" (Fe~x~ V~1-x~ O~2~; x=approximately 0.25)
Muller, J; Joubert, J C; Marezio, M; Journal of Solid State Chemistry 27 (1979) 191–199; doi:10.1016/0022-4596(79)90157-9

data_1008165
_publ_section_title
;
Synthese et structure crystalline d'un nouvel oxyde mixte "Fe V~3~
O~8~" (Fe~x~ V~1-x~ O~2~; x=approximately 0.25)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              191
_journal_page_last               199
_journal_paper_doi               10.1016/0022-4596(79)90157-9
_journal_volume                  27
_journal_year                    1979
_chemical_formula_structural     'FE V3 O8'
_chemical_formula_sum            'Fe O8 V3'
_chemical_name_systematic        'Iron(III) vanadium divanadium(IV)'
_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                 106.85
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.129(3)
_cell_length_b                   3.679(1)
_cell_length_c                   6.547(2)
_cell_volume                     279.6
_refine_ls_R_factor_all          0.0019
_cod_database_code               1008165
Structure de γ-LiAlO~2~
Bertaut, E. F.; Delapalme, A.; Bassi, G.; Durif-Varambon, A.; Joubert, J. C.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 103–108; doi:

data_1008166
_publ_section_title              'Structure de \g-LiAlO~2~'
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
 (72,1949-100,1977)
;
_journal_page_first              103
_journal_page_last               108
_journal_volume                  88
_journal_year                    1965
_chemical_formula_structural     'Al Li O2'
_chemical_formula_sum            'Al Li O2'
_chemical_name_systematic        'Lithium aluminium oxide - \g'
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   5.17
_cell_length_b                   5.17
_cell_length_c                   6.295
_cell_volume                     168.3
_refine_ls_R_factor_all          0.053
_cod_database_code               1008166
Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~
Muller, Olaf; Roy, Rustum; Journal of the Less-Common Metals 16 (1968) 129–146; doi:10.1016/0022-5088(68)90070-2

data_1008167
_publ_section_title
;
 Formation and stability of the platinum and rhodium oxides at high
 oxygen pressures and the structures of Pt~3~O~4~, \b-PtO~2~ and RhO~2~
;
_journal_coden_ASTM              JCOMAH
_journal_issue                   2
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              129
_journal_page_last               146
_journal_paper_doi               10.1016/0022-5088(68)90070-2
_journal_volume                  16
_journal_year                    1968
_chemical_formula_structural     'Pt3 O4'
_chemical_formula_sum            'O4 Pt3'
_chemical_name_systematic        'Platinum oxide (3/4)'
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.585
_cell_length_b                   5.585
_cell_length_c                   5.585
_cell_volume                     174.2
_cod_duplicate_entry             1008965
_cod_database_code               1008167
Structure de l'Hydrogenophosphate D'Argent
Tordjman, I; Boudjada, A; Guitel, J C; Masse, R; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 3723–3725; doi:10.1107/S0567740878011966

data_1008168
_publ_section_title              'Structure de l'Hydrogenophosphate D'Argent'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3723
_journal_page_last               3725
_journal_paper_doi               10.1107/S0567740878011966
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Ag2 H P O4'
_chemical_formula_sum            'Ag2 H O4 P'
_chemical_name_systematic        'Silver hydrogenphosphate'
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.190(2)
_cell_length_b                   6.190(2)
_cell_length_c                   9.015(6)
_cell_volume                     299.1
_refine_ls_R_factor_all          0.052
_cod_original_formula_sum        'H Ag2 O4 P'
_cod_database_code               1008168
Structure du Dichromate de Baryum, Form α
Blum, D.; Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 35 (1979) 2685–2687; doi:10.1107/S0567740879010189

data_1008169
_publ_section_title
;
 Structure du Dichromate de Baryum, Form \a
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              2685
_journal_page_last               2687
_journal_paper_doi               10.1107/S0567740879010189
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'Ba Cr2 O7'
_chemical_formula_sum            'Ba Cr2 O7'
_chemical_name_systematic        'Barium dichromate - \a'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.53(5)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   16.31(2)
_cell_length_b                   16.67(2)
_cell_length_c                   9.474(5)
_cell_volume                     2563.9
_refine_ls_R_factor_all          0.039
_cod_database_code               1008169
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)
Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B; Materials Research Bulletin 19 (1984) 895–904; doi:10.1016/0025-5408(84)90052-7

data_1008170
_publ_section_title
;
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide
Mg~2~ Ni H~x~ (x=0.30)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              895
_journal_page_last               904
_journal_paper_doi               10.1016/0025-5408(84)90052-7
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Mg2 Ni'
_chemical_formula_sum            'Mg2 Ni'
_chemical_name_systematic        'Dimagnesium nickel'
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.205(1)
_cell_length_b                   5.205(1)
_cell_length_c                   13.236(2)
_cell_volume                     310.5
_refine_ls_R_factor_all          0.044
_cod_database_code               1008170
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)
Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B; Materials Research Bulletin 19 (1984) 895–904; doi:10.1016/0025-5408(84)90052-7

data_1008171
_publ_section_title
;
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide
Mg~2~ Ni H~x~ (x=0.30)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              895
_journal_page_last               904
_journal_paper_doi               10.1016/0025-5408(84)90052-7
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Mg2 Ni'
_chemical_formula_sum            'Mg2 Ni'
_chemical_name_systematic        'Dimagnesium nickel'
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.205(1)
_cell_length_b                   5.205(1)
_cell_length_c                   13.236(2)
_cell_volume                     310.5
_refine_ls_R_factor_all          0.046
_cod_database_code               1008171
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30)
Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B; Materials Research Bulletin 19 (1984) 895–904; doi:10.1016/0025-5408(84)90052-7

data_1008172
_publ_section_title
;
Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide
Mg~2~ Ni H~x~ (x=0.30)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              895
_journal_page_last               904
_journal_paper_doi               10.1016/0025-5408(84)90052-7
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Mg2 Ni D0.3'
_chemical_formula_sum            'D0.3 Mg2 Ni'
_chemical_name_systematic
;
Deuterium magnesium nickel (0.3/2/1) - $-alpha
;
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.256
_cell_length_b                   5.256
_cell_length_c                   13.435
_cell_volume                     321.4
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'D.3 Mg2 Ni'
_cod_database_code               1008172
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
Averbuch-Pouchot, M T; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 315–317; doi:

data_1008173
_publ_section_title
;
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              315
_journal_page_last               317
_journal_volume                  155
_journal_year                    1981
_chemical_formula_structural     'Rb3 Cr4 P O16'
_chemical_formula_sum            'Cr4 O16 P Rb3'
_chemical_name_systematic        'Rubidium tetrachromatophosphate'
_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                 106.02(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.712(7)
_cell_length_b                   11.980(8)
_cell_length_c                   14.90(1)
_cell_volume                     1666.3
_exptl_crystal_density_meas      2.99
_cod_database_code               1008173
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
Averbuch-Pouchot, M T; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 315–317; doi:

data_1008174
_publ_section_title
;
Crystal data for Rb~3~ Cr~4~ P O~16~ and Rb~3~ Cr~4~ As O~16~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              315
_journal_page_last               317
_journal_volume                  155
_journal_year                    1981
_chemical_formula_structural     'Rb3 Cr4 As O16'
_chemical_formula_sum            'As Cr4 O16 Rb3'
_chemical_name_systematic        'Rubidium tetrachromatoarsenate'
_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                 105.91(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.804(6)
_cell_length_b                   11.96(1)
_cell_length_c                   14.92(1)
_cell_volume                     1682.4
_exptl_crystal_density_meas      3.14
_cod_database_code               1008174
Neutron Diffraction Study of the Ferroelectric Modification of Potassium Dihydrogen Phosphate
Levy, H A; Peterson, S W; Physical Review (1,1893-132,1963/141,1966-188,1969) 93 (1954) 1120–1121; doi:

data_1008175
_publ_section_title
;
Neutron Diffraction Study of the Ferroelectric Modification of
Potassium Dihydrogen Phosphate
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              1120
_journal_page_last               1121
_journal_volume                  93
_journal_year                    1954
_chemical_formula_structural     'K H2 P O4'
_chemical_formula_sum            'H2 K O4 P'
_chemical_name_systematic        'Potassium dihydrogen phosphate'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_H-M   'F d d 2 S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.53
_cell_length_b                   10.44
_cell_length_c                   6.9
_cell_volume                     758.5
_refine_ls_R_factor_all          0.059
_cod_database_code               1008175
Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)~1.5~ (H~2~ O)~0.45~
Mosset, A; Abboudi, M; Galy, J; Zeitschrift fuer Kristallographie (149,1979-) 164 (1983) 171–180; doi:

data_1008176
_publ_section_title
;
Synthese, structure moleculaire et cristalline d'un rubeanate de
cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)~1.5~ (H~2~ O)~0.45~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              171
_journal_page_last               180
_journal_volume                  164
_journal_year                    1983
_chemical_formula_structural     'Cu Cl (C2 N2 S2 H4)1.5 (H2 O)0.45'
_chemical_formula_sum            'C3 H6.9 Cl Cu N3 O0.45 S3'
_chemical_name_systematic
;
Copper(I) 1,2dithiooxalicacidamide chloride hydrate
;
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.258(3)
_cell_length_b                   22.686(4)
_cell_length_c                   13.503(3)
_cell_volume                     4367.6
_exptl_crystal_density_meas      1.66(3)
_refine_ls_R_factor_all          0.051
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from
 'Cl Cu H6.9 N3 O0.45 S3' to 'C3 H6.9 Cl Cu N3 O0.45 S3'.

 Antanas Vaitkus,
 2018-07-07

 Removing the dummy hydrogen atom 'H7' and changing the attached hydrogen
 atom count of the nitrogen atoms from '3' to '0' since explicit coordinates
 of these hydrogen atoms are provided.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_sg_symbol_H-M      'C c c a Z'
_cod_original_formula_sum        'H6.9 Cl Cu N3 O.45 S3'
_cod_database_code               1008176