LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction determination of the crystal structure of ammonium bromide in four phases
Levy, H A; Peterson, S W; Journal of the American Chemical Society 75 (1953) 1536–1542; doi:10.1021/ja01103a006

data_1008920
_publ_section_title
;
Neutron diffraction determination of the crystal structure of ammonium
bromide in four phases
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1536
_journal_page_last               1542
_journal_paper_doi               10.1021/ja01103a006
_journal_volume                  75
_journal_year                    1953
_chemical_formula_structural     '(N D4) Br'
_chemical_formula_sum            'Br D4 N'
_chemical_name_systematic        'Tetradeuterioammonium bromide - I'
_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                   6.9
_cell_length_b                   6.9
_cell_length_c                   6.9
_cell_volume                     328.5
_cod_original_formula_sum        'D4 Br N'
_cod_database_code               1008920
Etude de seleniures de chrome.
Chevreton, M; Bertaut, F; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 253 (1961) 145–147; doi:

data_1008921
_publ_section_title              'Etude de seleniures de chrome.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              145
_journal_page_last               147
_journal_volume                  253
_journal_year                    1961
_chemical_formula_structural     'Cr3 Se4'
_chemical_formula_sum            'Cr3 Se4'
_chemical_name_systematic        'Chromium selenide (3/4)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.299(2)
_cell_length_b                   3.607(1)
_cell_length_c                   11.731(3)
_cell_volume                     266.4
_refine_ls_R_factor_all          0.09
_cod_database_code               1008921
Etude de seleniures de chrome.
Chevreton, M; Bertaut, F; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 253 (1961) 145–147; doi:

data_1008922
_publ_section_title              'Etude de seleniures de chrome.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              145
_journal_page_last               147
_journal_volume                  253
_journal_year                    1961
_chemical_formula_structural     'Cr7 Se8'
_chemical_formula_sum            'Cr7 Se8'
_chemical_name_systematic        'Chromium selenide (7/8)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y (x-1/2*z,y,1/2*z)'
_space_group_name_H-M_alt        'C 1 2/m 1 (a,b,a+2*c)'
_cell_angle_alpha                90
_cell_angle_beta                 91.25(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.664(10)
_cell_length_b                   7.374(8)
_cell_length_c                   11.979(6)
_cell_volume                     1118.4
_refine_ls_R_factor_all          0.18
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_sg_symbol_H-M      'F 1 2/m 1'
_cod_database_code               1008922
Un nouveau type de structure hexagonale: Al T O3 (T = Y, Eu, Gd, Tb, Dy, Ho, Er).
Bertaut, F; Mareschal, J; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 257 (1963) 867–870; doi:

data_1008923
_publ_section_title
;
Un nouveau type de structure hexagonale: Al T O3 (T = Y, Eu, Gd, Tb,
Dy, Ho, Er).
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              867
_journal_page_last               870
_journal_volume                  257
_journal_year                    1963
_chemical_formula_structural     'Y Al O3'
_chemical_formula_sum            'Al O3 Y'
_chemical_name_systematic        'Yttrium aluminium oxide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.680(5)
_cell_length_b                   3.680(5)
_cell_length_c                   10.52(1)
_cell_volume                     123.4
_refine_ls_R_factor_all          0.024
_cod_database_code               1008923
Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.
Bertaut, F; Corliss, L; Forrat, F; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 251 (1960) 1733–1735; doi:

data_1008924
_publ_section_title
;
Structure cristallographique et magnetique de niobates et tantalates de
metaux de transition bivalents.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              1733
_journal_page_last               1735
_journal_volume                  251
_journal_year                    1960
_chemical_formula_structural     'Mn4 Nb2 O9'
_chemical_formula_sum            'Mn4 Nb2 O9'
_chemical_name_systematic        'Tetramanganese diniobium oxide'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.177
_cell_length_b                   5.177
_cell_length_c                   14.168
_cell_volume                     328.8
_refine_ls_R_factor_all          0.07
_cod_database_code               1008924
Structure cristallographique et magnetique de niobates et tantalates de metaux de transition bivalents.
Bertaut, F; Corliss, L; Forrat, F; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 251 (1960) 1733–1735; doi:

data_1008925
_publ_section_title
;
Structure cristallographique et magnetique de niobates et tantalates de
metaux de transition bivalents.
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              1733
_journal_page_last               1735
_journal_volume                  251
_journal_year                    1960
_chemical_formula_structural     'Co4 Nb2 O9'
_chemical_formula_sum            'Co4 Nb2 O9'
_chemical_name_systematic        'Tetracobalt diniobium oxide'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.177
_cell_length_b                   5.177
_cell_length_c                   14.168
_cell_volume                     328.8
_refine_ls_R_factor_all          0.07
_cod_database_code               1008925
Une nouvelle classe de composes Li T O2 (T = Sm, Eu, Gd)
Gondrand, M; Bertaut, E F; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 86 (1963) 301–302; doi:

data_1008926
_publ_section_title
;
Une nouvelle classe de composes Li T O2 (T = Sm, Eu, Gd)
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              301
_journal_page_last               302
_journal_volume                  86
_journal_year                    1963
_chemical_formula_structural     'Li Gd O2'
_chemical_formula_sum            'Gd Li O2'
_chemical_name_systematic        'Lithium gadolinium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.326
_cell_length_b                   11.34
_cell_length_c                   3.448
_cell_volume                     208.2
_exptl_crystal_density_meas      6.25
_cod_database_code               1008926
Structure magnetique de β-FeNaO~2~. Raffinement des paramèters atomiques
Bertaut, F.; Delapalme, A.; Bassi, G.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 257 (1963) 421–424; doi:

data_1008927
_publ_section_title
;
 Structure magnetique de \b-FeNaO~2~. Raffinement des param\`eters atomiques
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
;
_journal_page_first              421
_journal_page_last               424
_journal_volume                  257
_journal_year                    1963
_chemical_formula_structural     'Fe Na O2'
_chemical_formula_sum            'Fe Na O2'
_chemical_name_systematic        'Iron(III) sodium oxide - $-beta'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.672
_cell_length_b                   7.136
_cell_length_c                   5.377
_cell_volume                     217.6
_cod_database_code               1008927
Neutron diffraction studies on scandium orthovanadate and scandium oxide
Milligan, W O; Vernon, L W; Levy, H A; Peterson, S W; Journal of Physical Chemistry 57 (1953) 535–537; doi:10.1021/j150506a012

data_1008928
_publ_section_title
;
Neutron diffraction studies on scandium orthovanadate and scandium oxide
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              535
_journal_page_last               537
_journal_paper_doi               10.1021/j150506a012
_journal_volume                  57
_journal_year                    1953
_chemical_formula_structural     'Sc2 O3'
_chemical_formula_sum            'O3 Sc2'
_chemical_name_systematic        'Scandium oxide'
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.79
_cell_length_b                   9.79
_cell_length_c                   9.79
_cell_volume                     938.3
_cod_database_code               1008928
Sur l'etat de valences dans le compose Cu Fe O2
Delorme, C; Bertaut, F; Journal de Physique et du Radium 14 (1953) 129–130; doi:10.1051/jphysrad:01953001402012901

data_1008929
_publ_section_title
;
Sur l'etat de valences dans le compose Cu Fe O2
;
_journal_coden_ASTM              JPRAAJ
_journal_name_full               'Journal de Physique et du Radium'
_journal_page_first              129
_journal_page_last               130
_journal_paper_doi               10.1051/jphysrad:01953001402012901
_journal_volume                  14
_journal_year                    1953
_chemical_formula_structural     'Cu Fe O2'
_chemical_formula_sum            'Cu Fe O2'
_chemical_name_systematic        'Copper(I) iron(III) oxide'
_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                29.43
_cell_angle_beta                 29.43
_cell_angle_gamma                29.43
_cell_formula_units_Z            1
_cell_length_a                   5.96
_cell_length_b                   5.96
_cell_length_c                   5.96
_cell_volume                     45.2
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1008929
Etude de niobates et tantalates de metaux de transition bivalents
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R; Journal of Physics and Chemistry of Solids 21 (1961) 234–251; doi:10.1016/0022-3697(61)90103-2

data_1008930
_publ_section_title
;
Etude de niobates et tantalates de metaux de transition bivalents
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              234
_journal_page_last               251
_journal_paper_doi               10.1016/0022-3697(61)90103-2
_journal_volume                  21
_journal_year                    1961
_chemical_formula_structural     'Co4 Nb2 O9'
_chemical_formula_sum            'Co4 Nb2 O9'
_chemical_name_systematic        'Tetracobalt diniobium oxide'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.177
_cell_length_b                   5.177
_cell_length_c                   14.168
_cell_volume                     328.8
_refine_ls_R_factor_all          0.07
_cod_database_code               1008930
_cod_duplicate_entry 1008215
Etude de niobates et tantalates de metaux de transition bivalents
Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R; Journal of Physics and Chemistry of Solids 21 (1961) 234–251; doi:10.1016/0022-3697(61)90103-2

data_1008931
_publ_section_title
;
Etude de niobates et tantalates de metaux de transition bivalents
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              234
_journal_page_last               251
_journal_paper_doi               10.1016/0022-3697(61)90103-2
_journal_volume                  21
_journal_year                    1961
_chemical_formula_structural     'Mn4 Nb2 O9'
_chemical_formula_sum            'Mn4 Nb2 O9'
_chemical_name_systematic        'Tetramanganese diniobium oxide'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.335
_cell_length_b                   5.335
_cell_length_c                   14.32
_cell_volume                     353.0
_refine_ls_R_factor_all          0.07
_cod_database_code               1008931
_cod_duplicate_entry 1008216
Caracteristiques cristallographiques, proprietes et structure magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K
Coing-Boyat, J; Sayetat, F; Apostolov, A; Journal de Physique (Paris) 36 (1975) 1165–1174; doi:10.1051/jphys:0197500360110116500

data_1008932
_publ_section_title
;
Caracteristiques cristallographiques, proprietes et structure
magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K
;
_journal_coden_ASTM              JOPQAG
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              1165
_journal_page_last               1174
_journal_paper_doi               10.1051/jphys:0197500360110116500
_journal_volume                  36
_journal_year                    1975
_chemical_compound_source        synthetic
_chemical_formula_structural     'Tb (P O4)'
_chemical_formula_sum            'O4 P Tb'
_chemical_name_mineral           'Xenotime (Tb)'
_chemical_name_systematic        'Terbium phosphate(V)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9423(1)
_cell_length_b                   6.9423(1)
_cell_length_c                   6.0640(3)
_cell_volume                     292.3
_exptl_crystal_density_meas      5.75
_refine_ls_R_factor_all          0.04
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1008932
Caracteristiques cristallographiques, proprietes et structure magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K
Coing-Boyat, J; Sayetat, F; Apostolov, A; Journal de Physique (Paris) 36 (1975) 1165–1174; doi:10.1051/jphys:0197500360110116500

data_1008933
_publ_section_title
;
Caracteristiques cristallographiques, proprietes et structure
magnetiques de Tb P O4 dans la gamme 1.5 K - 300 K
;
_journal_coden_ASTM              JOPQAG
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              1165
_journal_page_last               1174
_journal_paper_doi               10.1051/jphys:0197500360110116500
_journal_volume                  36
_journal_year                    1975
_chemical_compound_source        synthetic
_chemical_formula_structural     'Tb (P O4)'
_chemical_formula_sum            'O4 P Tb'
_chemical_name_mineral           'Xenotime (Tb)'
_chemical_name_systematic        'Terbium phosphate(V)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9414(2)
_cell_length_b                   6.9414(2)
_cell_length_c                   6.0704(4)
_cell_volume                     292.5
_exptl_crystal_density_meas      5.75
_refine_ls_R_factor_all          0.029
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               1008933
Etude crystallographique de sulfures de terres rares et de sodium
Ballestracci, R; Bertaut, E F; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 87 (1964) 512–517; doi:

data_1008934
_publ_section_title
;
Etude crystallographique de sulfures de terres rares et de sodium
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              512
_journal_page_last               517
_journal_volume                  87
_journal_year                    1964
_chemical_formula_structural     'Na Er S2'
_chemical_formula_sum            'Er Na S2'
_chemical_name_systematic        'Sodium erbium sulfide'
_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                   3.939
_cell_length_b                   3.939
_cell_length_c                   19.98
_cell_volume                     268.5
_refine_ls_R_factor_all          0.022
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008934
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_1008935
_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     'Pt O2'
_chemical_formula_sum            'O2 Pt'
_chemical_name_systematic        'Platinum(IV) oxide - \b'
_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            2
_cell_length_a                   4.486
_cell_length_b                   4.537
_cell_length_c                   3.138
_cell_volume                     63.9
_refine_ls_R_factor_all          0.122
_cod_database_code               1008935
Etude structurale des carbures de manganese
Bouchard, J P; Annales de Chimie (Paris) (Vol=Year) 1967 (1967) 353–366; doi:

data_1008936
_publ_section_title              'Etude structurale des carbures de manganese'
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              353
_journal_page_last               366
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_structural     'Mn7 C3'
_chemical_formula_sum            'C3 Mn7'
_chemical_name_systematic        'Manganese carbide (7/3)'
_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                   4.546
_cell_length_b                   6.959
_cell_length_c                   11.976
_cell_volume                     378.9
_cod_database_code               1008936