LMucko/crystallography-open-database huggingface dataset:
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001239
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7660(2)
_cell_length_b                   7.7660(2)
_cell_length_c                   5.6297(3)
_cell_volume                     294.0
_cod_database_code               1001239
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001240
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7696(2)
_cell_length_b                   7.7696(2)
_cell_length_c                   5.6318(3)
_cell_volume                     294.4
_cod_database_code               1001240
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001241
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7809(3)
_cell_length_b                   7.7809(3)
_cell_length_c                   5.6407(4)
_cell_volume                     295.7
_cod_database_code               1001241
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001242
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7853(4)
_cell_length_b                   7.7853(4)
_cell_length_c                   5.6431(5)
_cell_volume                     296.2
_cod_database_code               1001242
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001243
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-alpha'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.7910(4)
_cell_length_b                   7.7910(4)
_cell_length_c                   5.6492(5)
_cell_volume                     297.0
_cod_database_code               1001243
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001244
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6018(4)
_cell_length_b                   7.6018(4)
_cell_length_c                   2.9066(2)
_cell_volume                     145.5
_cod_database_code               1001244
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001245
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6140(4)
_cell_length_b                   7.6140(4)
_cell_length_c                   2.9123(2)
_cell_volume                     146.2
_cod_database_code               1001245
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001246
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6170(4)
_cell_length_b                   7.6170(4)
_cell_length_c                   2.9134(2)
_cell_volume                     146.4
_cod_database_code               1001246
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001247
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6272(6)
_cell_length_b                   7.6272(6)
_cell_length_c                   2.9182(3)
_cell_volume                     147.0
_cod_database_code               1001247
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001248
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6322(6)
_cell_length_b                   7.6322(6)
_cell_length_c                   2.9191(4)
_cell_volume                     147.3
_cod_database_code               1001248
Modifications structurales du nitrure de silicium en fonction de la temperature
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 18 (1983) 921–934; doi:10.1016/0025-5408(83)90003-X

data_1001249
_publ_section_title
;
Modifications structurales du nitrure de silicium en fonction de la
temperature
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              921
_journal_page_last               934
_journal_paper_doi               10.1016/0025-5408(83)90003-X
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Si3 N4'
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Silicon nitride - $-beta'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.6374(7)
_cell_length_b                   7.6374(7)
_cell_length_c                   2.9220(4)
_cell_volume                     147.6
_cod_database_code               1001249
Ln~2~ Ba Zn O~5~ and Ln~2~ Ba Zn~1-X~ Cu~X~ O~5~: A Series of Zinc Oxides with Zinc in a Pyramidal Coordination
Michel, C; Raveau, B; Journal of Solid State Chemistry 49 (1983) 150–156; doi:10.1016/0022-4596(83)90108-1

data_1001250
_publ_section_title
;
Ln~2~ Ba Zn O~5~ and Ln~2~ Ba Zn~1-X~ Cu~X~ O~5~: A Series of Zinc
Oxides with Zinc in a Pyramidal Coordination
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              150
_journal_page_last               156
_journal_paper_doi               10.1016/0022-4596(83)90108-1
_journal_volume                  49
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Y2 Ba Zn O5'
_chemical_formula_sum            'Ba O5 Y2 Zn'
_chemical_name_systematic        'Diyttrium barium zinc 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                   7.068(3)
_cell_length_b                   12.324(4)
_cell_length_c                   5.706(2)
_cell_volume                     497.0
_database_code_amcsd             0013507
_exptl_crystal_density_diffrn    6.154
_exptl_crystal_density_meas      6.2
_refine_ls_R_factor_all          0.062
_cod_database_code               1001250
_amcsd_formula_title             BaY2ZnO5
Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite
Agafonov, V; Kahn, A; Michel, D; Guymont, M; Materials Research Bulletin 18 (1983) 975–981; doi:10.1016/0025-5408(83)90009-0

data_1001251
_publ_section_title
;
Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              975
_journal_page_last               981
_journal_paper_doi               10.1016/0025-5408(83)90009-0
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Ba Sc2 O4'
_chemical_formula_sum            'Ba O4 Sc2'
_chemical_name_systematic        'Barium discandium oxide'
_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                 90.(0)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   9.84
_cell_length_b                   5.81
_cell_length_c                   20.65
_cell_volume                     1180.6
_exptl_crystal_density_meas      4.9
_refine_ls_R_factor_all          0.05
_cod_database_code               1001251
K~1.4~ P~4~ W~14~ O~50~: An Odd-m Member (m=7) of the Monophosphate Tungsten Bronze Series K~x~ P~4~ O~8~ (W O~3~)~2m~
Domenges, B; Goreaud, M; Labbe, P; Raveau, B; Journal of Solid State Chemistry 50 (1983) 173–179; doi:10.1016/0022-4596(83)90185-8

data_1001252
_publ_section_title
;
K~1.4~ P~4~ W~14~ O~50~: An Odd-m Member (m=7) of the Monophosphate
Tungsten Bronze Series K~x~ P~4~ O~8~ (W O~3~)~2m~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              173
_journal_page_last               179
_journal_paper_doi               10.1016/0022-4596(83)90185-8
_journal_volume                  50
_journal_year                    1983
_chemical_formula_structural     'K1.4 P4 W14 O50'
_chemical_formula_sum            'K1.4 O50 P4 W14'
_chemical_name_systematic
;
Potassium phosphorus tungsten oxide (1.4/4/14/50)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.20(2)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.660(2)
_cell_length_b                   5.3483(3)
_cell_length_c                   27.06(5)
_cell_volume                     956.3
_refine_ls_R_factor_all          0.036
_cod_database_code               1001252
Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~
Bernard, M A; Borel, M M; Grandin, A; Leclaire, A; Revue de Chimie Minerale 16 (1979) 477–484; doi:

data_1001253
_publ_section_title
;
Mise en evidence du ligand carbamato synthetise en milieu aqueux.
Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              477
_journal_page_last               484
_journal_volume                  16
_journal_year                    1979
_chemical_formula_structural     'Co (O C O N H2) (N H3)5 (N O3)2'
_chemical_formula_sum            'C H17 Co N8 O8'
_chemical_name_systematic        'Pentamminecarbamatocobalt(III) nitrate'
_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                 108.72
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.201(15)
_cell_length_b                   7.813(4)
_cell_length_c                   12.20(8)
_cell_volume                     1191.7
_exptl_crystal_density_meas      1.82(2)
_refine_ls_R_factor_all          0.03
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Co H17 N8 O8'
 to 'C H17 Co N8 O8'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'H17 Co N8 O8'
_cod_database_code               1001253
Determination structurale de Nd~2~ Ge~2~ O~7~
Vetter, G; Queyroux, F; Labbe, P; Goreaud, M; Journal of Solid State Chemistry 45 (1982) 293–302; doi:10.1016/0022-4596(82)90174-8

data_1001254
_publ_section_title
;
Determination structurale de Nd~2~ Ge~2~ O~7~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              293
_journal_page_last               302
_journal_paper_doi               10.1016/0022-4596(82)90174-8
_journal_volume                  45
_journal_year                    1982
_chemical_formula_structural     'Nd2 Ge2 O7'
_chemical_formula_sum            'Ge2 Nd2 O7'
_chemical_name_systematic        'Dineodymium digermanate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.456(13)
_cell_angle_beta                 90.728(17)
_cell_angle_gamma                95.150(16)
_cell_formula_units_Z            12
_cell_length_a                   37.6093(99)
_cell_length_b                   6.9222(3)
_cell_length_c                   6.9234(12)
_cell_volume                     1794.4
_refine_ls_R_factor_all          0.061
_cod_database_code               1001254
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs~3~ Nb~5.96~ O~16.4~
Saine, M C; Gasperin, M; Acta Crystallographica C (39,1983-) 39 (1983) 1153–1156; doi:

data_1001255
_publ_section_title
;
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique,
Cs~3~ Nb~5.96~ O~16.4~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1153
_journal_page_last               1156
_journal_volume                  39
_journal_year                    1983
_chemical_formula_structural     'Cs3 Nb5.96 O16.4'
_chemical_formula_sum            'Cs3 Nb5.96 O16.4'
_chemical_name_systematic        'Caesium niobium oxide (3/5.96/16.4)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.315(3)
_cell_length_b                   24.506(4)
_cell_length_c                   7.296(2)
_cell_volume                     3274.6
_refine_ls_R_factor_all          0.04
_cod_database_code               1001255