LMucko/crystallography-open-database huggingface dataset:
The crystal structure of V~4~ O~7~ at 120K
Hodeau, J L; Marezio, M; Journal of Solid State Chemistry 23 (1978) 253–263; doi:10.1016/0022-4596(78)90072-5

data_1008025
_publ_section_title              'The crystal structure of V~4~ O~7~ at 120K'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               263
_journal_paper_doi               10.1016/0022-4596(78)90072-5
_journal_volume                  23
_journal_year                    1978
_chemical_formula_structural     'V4 O7'
_chemical_formula_sum            'O7 V4'
_chemical_name_systematic
;
Vanadium oxide (4/7) - low-temperature phase
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                94.86(2)
_cell_angle_beta                 95.17(1)
_cell_angle_gamma                109.39(1)
_cell_formula_units_Z            4
_cell_length_a                   5.503(1)
_cell_length_b                   6.997(2)
_cell_length_c                   12.256(2)
_cell_volume                     440.0
_refine_ls_R_factor_all          0.042
_cod_database_code               1008025
Sodium thiosulfate pentahydrate: a redetermination by neutron diffraction
Lisensky, G C; Levy, H A; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1975–1977; doi:10.1107/S0567740878007116

data_1008026
_publ_section_title
;
Sodium thiosulfate pentahydrate: a redetermination by neutron
diffraction
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1975
_journal_page_last               1977
_journal_paper_doi               10.1107/S0567740878007116
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Na2 S2 O3 (H2 O)5'
_chemical_formula_sum            'H10 Na2 O8 S2'
_chemical_name_systematic        'Sodium thiosulfate pentahydrate'
_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                 103.804(24)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9522(9)
_cell_length_b                   21.618(6)
_cell_length_c                   7.543(3)
_cell_volume                     942.6
_refine_ls_R_factor_all          0.087
_cod_database_code               1008026
Structure cristalline du trimetaphosphate mixte de nickelpotassium heptahydrate, Ni K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~, et donnees cristallographiques de Co K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~
Seethanen, D; Tordjman, I; Averbuch-Pouchot, M T; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 2387–2390; doi:10.1107/S0567740878008298

data_1008027
_publ_section_title
;
Structure cristalline du trimetaphosphate mixte de nickelpotassium
heptahydrate,  Ni K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~, et donnees
cristallographiques de Co K~4~ (P~3~ O~9~)~2~ (H~2~ O)~7~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2387
_journal_page_last               2390
_journal_paper_doi               10.1107/S0567740878008298
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Ni K4 (P3 O9)2 (H2 O)7'
_chemical_formula_sum            'H14 K4 Ni O25 P6'
_chemical_name_systematic
;
Nickel tetrapotassium cyclo-triphosphate heptahydrate
;
_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 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.03(1)
_cell_length_b                   11.882(4)
_cell_length_c                   8.732(4)
_cell_volume                     2389.4
_refine_ls_R_factor_all          0.043
_cod_database_code               1008027
Barium chloride dihydrate by neutron diffraction
Padmanabhan, V M; Busing, W R; Levy, H A; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 2290–2292; doi:10.1107/S056774087800792X

data_1008028
_publ_section_title
;
Barium chloride dihydrate by neutron diffraction
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2290
_journal_page_last               2292
_journal_paper_doi               10.1107/S056774087800792X
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Ba Cl2 (H2 O)2'
_chemical_formula_sum            'Ba Cl2 H4 O2'
_chemical_name_systematic        'Barium chloride dihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.104(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7215(2)
_cell_length_b                   10.9080(3)
_cell_length_c                   7.1316(2)
_cell_volume                     522.8
_refine_ls_R_factor_all          0.046
_cod_original_formula_sum        'H4 Ba Cl2 O2'
_cod_database_code               1008028
The structure of the high temperature $-alpha modification of Cs~2~ Pb Cu (N O~2~)~6~ and the Jahn-Teller induced $-alpha $-beta phase transition - a neutron diffraction study
Klein, S; Reinen, D; Journal of Solid State Chemistry 25 (1978) 295–299; doi:10.1016/0022-4596(78)90114-7

data_1008029
_publ_section_title
;
The structure of the high temperature $-alpha modification of Cs~2~ Pb
Cu (N O~2~)~6~ and the Jahn-Teller induced $-alpha $-beta phase
transition - a neutron diffraction study
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              295
_journal_page_last               299
_journal_paper_doi               10.1016/0022-4596(78)90114-7
_journal_volume                  25
_journal_year                    1978
_chemical_formula_structural     'Cs2 Pb Cu (N O2)6'
_chemical_formula_sum            'Cs2 Cu N6 O12 Pb'
_chemical_name_systematic        'Dicaesium lead hexanitrocuprate - $-alpha'
_space_group_IT_number           202
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.97(2)
_cell_length_b                   10.97(2)
_cell_length_c                   10.97(2)
_cell_volume                     1320.1
_refine_ls_R_factor_all          0.041
_cod_database_code               1008029
Structure cristalline du polyphosphate de Baryum γ: Ba(PO~3~)~2~γ
Coing-Boyat, J.; Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 2689–2692; doi:10.1107/S0567740878009024

data_1008030
_publ_section_title
;
 Structure cristalline du polyphosphate de Baryum \g: Ba(PO~3~)~2~\g
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   9
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2689
_journal_page_last               2692
_journal_paper_doi               10.1107/S0567740878009024
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Ba (P O3)2'
_chemical_formula_sum            'Ba O6 P2'
_chemical_name_systematic        'Barium catena-phosphate - \g'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.75(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.695(3)
_cell_length_b                   6.906(3)
_cell_length_c                   7.522(3)
_cell_volume                     501.9
_refine_ls_R_factor_all          0.033
_cod_database_code               1008030
Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO~4~α: forme triclinique
Boudjada, A; Masse, R; Guitel, J C; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 34 (1978) 2692–2695; doi:10.1107/S0567740878009036

data_1008031
_publ_section_title
;
 Structure cristalline de l'orthophosphate monoacide de strontium:
 SrHPO~4~\a: forme triclinique
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              2692
_journal_page_last               2695
_journal_paper_doi               10.1107/S0567740878009036
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'Sr H P O4'
_chemical_formula_sum            'H O4 P Sr'
_chemical_name_systematic        'Strontium hydrogenphosphate - \a'
_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                94.68(1)
_cell_angle_beta                 104.97(1)
_cell_angle_gamma                88.77(1)
_cell_formula_units_Z            4
_cell_length_a                   7.184(1)
_cell_length_b                   6.790(1)
_cell_length_c                   7.256(1)
_cell_volume                     340.8
_exptl_crystal_density_meas      3.58
_refine_ls_R_factor_all          0.036
_cod_database_code               1008031
Structure du tris(chromato)arsenate de diammonium-hydrogene, (N H~4~)~2~ H Cr~3~ As O~13~: mise en evidence d'un nouvel anion (Cr~3~ As O~13~)^3-^
Averbuch-Pouchot, M T; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 3350–3351; doi:10.1107/S0567740878010894

data_1008032
_publ_section_title
;
Structure du tris(chromato)arsenate de diammonium-hydrogene,  (N
H~4~)~2~ H Cr~3~ As O~13~:  mise en evidence d'un nouvel anion  (Cr~3~
As O~13~)^3-^
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3350
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740878010894
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     '(N H4)2 H Cr3 As O13'
_chemical_formula_sum            'As Cr3 H9 N2 O13'
_chemical_name_systematic        'Diammonium hydrogentris(chromato)arsenate'
_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                 93.12(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.02
_cell_length_b                   9.49(1)
_cell_length_c                   9.57(1)
_cell_volume                     1271.4
_refine_ls_R_factor_all          0.042
_cod_original_formula_sum        'H9 As Cr3 N2 O13'
_cod_database_code               1008032
Structure cristalline du nouveau compose Co U~2~ O~8~
Bacmann, M; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1570–1572; doi:10.1107/S0567740873005066

data_1008033
_publ_section_title
;
Structure cristalline du nouveau compose Co U~2~ O~8~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1570
_journal_page_last               1572
_journal_paper_doi               10.1107/S0567740873005066
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     'Co3 U2 O8'
_chemical_formula_sum            'Co3 O8 U2'
_chemical_name_systematic        'Cobalt uranium oxide (3/2/8)'
_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                   5.11(1)
_cell_length_b                   10.3
_cell_length_c                   6.15(1)
_cell_volume                     323.7
_refine_ls_R_factor_all          0.122
_cod_database_code               1008033
The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten Hexafluoride at 193K by Neutron Diffraction
Levy, J H; Taylor, J C; Wilson, P W; Journal of Solid State Chemistry 15 (1975) 360–365; doi:10.1016/0022-4596(75)90292-3

data_1008034
_publ_section_title
;
The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten
Hexafluoride at 193K by Neutron Diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              360
_journal_page_last               365
_journal_paper_doi               10.1016/0022-4596(75)90292-3
_journal_volume                  15
_journal_year                    1975
_chemical_formula_structural     'W F6'
_chemical_formula_sum            'F6 W'
_chemical_name_systematic        'Tungsten fluoride'
_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                   9.603(3)
_cell_length_b                   8.713(4)
_cell_length_c                   5.044(3)
_cell_volume                     422.0
_refine_ls_R_factor_all          0.075
_cod_database_code               1008034
The structure of uranium tribromide by neutron diffraction profile analysis
Levy, J H; Taylor, J C; Wilson, P W; Journal of the Less-Common Metals 39 (1975) 265–270; doi:10.1016/0022-5088(75)90200-3

data_1008035
_publ_section_title
;
The structure of uranium tribromide by neutron diffraction profile
analysis
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              265
_journal_page_last               270
_journal_paper_doi               10.1016/0022-5088(75)90200-3
_journal_volume                  39
_journal_year                    1975
_chemical_formula_structural     'U Br3'
_chemical_formula_sum            'Br3 U'
_chemical_name_systematic        'Uranium(III) bromide'
_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                   7.942(2)
_cell_length_b                   7.942(2)
_cell_length_c                   4.441(2)
_cell_volume                     242.6
_refine_ls_R_factor_all          0.1
_cod_database_code               1008035
Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern aus Neutronenbeugungspulverdiagrammen
Klein, S; Weitzel, H; Journal of Applied Crystallography 8 (1975) 54–59; doi:10.1107/S0021889875009521

data_1008036
_publ_section_title
;
Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern
aus Neutronenbeugungspulverdiagrammen
;
_journal_coden_ASTM              JACGAR
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              54
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889875009521
_journal_volume                  8
_journal_year                    1975
_chemical_formula_structural     'CU W O4'
_chemical_formula_sum            'Cu O4 W'
_chemical_name_systematic        'COPPER TUNGSTATE'
_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                91.63(1)
_cell_angle_beta                 92.44(1)
_cell_angle_gamma                82.79(1)
_cell_formula_units_Z            2
_cell_length_a                   4.6964(9)
_cell_length_b                   5.8287(10)
_cell_length_c                   4.8736(7)
_cell_volume                     132.2
_refine_ls_R_factor_all          0.059
_cod_database_code               1008036
Structure du monophosphate acide de potassium-zinc. K Zn~2~ H (P O~4~)~2~
Averbuch-Pouchot, M T; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1452–1454; doi:10.1107/S0567740879006695

data_1008037
_publ_section_title
;
Structure du monophosphate acide de potassium-zinc. K Zn~2~ H (P
O~4~)~2~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1452
_journal_page_last               1454
_journal_paper_doi               10.1107/S0567740879006695
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'K Zn2 H (P O4)2'
_chemical_formula_sum            'H K O8 P2 Zn2'
_chemical_name_systematic
;
Potassium dizinc hydrogenbis(phosphate) - prepared by heating at 353 K
;
_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                72.67(1)
_cell_angle_beta                 78.33(1)
_cell_angle_gamma                76.09(1)
_cell_formula_units_Z            2
_cell_length_a                   9.432(8)
_cell_length_b                   8.907(6)
_cell_length_c                   5.220(5)
_cell_volume                     402.3
_exptl_crystal_density_meas      2.98
_exptl_crystal_thermal_history   'heating at 353 K'
_refine_ls_R_factor_all          0.046
_cod_database_code               1008037
Structure cristalline du monoarseniate diacide de strontium Sr (H~2~ As O~4~)~2~
Boudjada, A; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1050–1052; doi:10.1107/S0567740879005550

data_1008038
_publ_section_title
;
Structure cristalline du monoarseniate diacide de strontium Sr (H~2~ As
O~4~)~2~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1050
_journal_page_last               1052
_journal_paper_doi               10.1107/S0567740879005550
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'Sr (H2 As O4)2'
_chemical_formula_sum            'As2 H4 O8 Sr'
_chemical_name_systematic        'Strontium bis(dihydrogenarsenate)'
_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                86.354(6)
_cell_angle_beta                 110.335
_cell_angle_gamma                112.241(6)
_cell_formula_units_Z            2
_cell_length_a                   8.707(2)
_cell_length_b                   7.872(3)
_cell_length_c                   5.939(1)
_cell_volume                     352.2
_refine_ls_R_factor_all          0.024
_cod_original_formula_sum        'H4 As2 O8 Sr'
_cod_database_code               1008038
Un nouvel exemple d'anion du type (X Cr~2~ O~10~) (X=As). Structure de Ba H (As Cr~2~ O~10~)
Blum, D; Averbuch-Pouchot, M T; Guitel, J C; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 726–727; doi:10.1107/S0567740879004556

data_1008039
_publ_section_title
;
Un nouvel exemple d'anion du type (X Cr~2~ O~10~) (X=As). Structure de
Ba H (As Cr~2~ O~10~)
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              726
_journal_page_last               727
_journal_paper_doi               10.1107/S0567740879004556
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'Ba H (As Cr2 O10)'
_chemical_formula_sum            'As Ba Cr2 H O10'
_chemical_name_systematic        'Barium hydrogenarsenatodichromate'
_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                115.91(5)
_cell_angle_beta                 99.41(5)
_cell_angle_gamma                89.31(5)
_cell_formula_units_Z            2
_cell_length_a                   7.433(3)
_cell_length_b                   7.960(4)
_cell_length_c                   8.038(4)
_cell_volume                     421.1
_refine_ls_R_factor_all          0.045
_cod_original_formula_sum        'H As Ba Cr2 O10'
_cod_database_code               1008039
Structure du tripolychromate de potassium K~2~ Cr~3~ O~10~
Blum, D; Averbuch-Pouchot, M T; Guitel, J C; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 454–456; doi:10.1107/S0567740879003769

data_1008040
_publ_section_title
;
Structure du tripolychromate de potassium K~2~ Cr~3~ O~10~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              454
_journal_page_last               456
_journal_paper_doi               10.1107/S0567740879003769
_journal_volume                  35
_journal_year                    1979
_chemical_formula_structural     'K2 Cr3 O10'
_chemical_formula_sum            'Cr3 K2 O10'
_chemical_name_systematic        'Dipotassium trichromate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.20(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.618(3)
_cell_length_b                   17.791(8)
_cell_length_c                   7.354(3)
_cell_volume                     983.9
_refine_ls_R_factor_all          0.049
_cod_database_code               1008040