LMucko/crystallography-open-database huggingface dataset:
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction
Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R; Europhysics Letters 3 (1987) 1301–1307; doi:10.1209/0295-5075/3/12/009

data_1008486
_publ_section_title
;
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5-
300)K by Neutron Powder Diffraction
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.1209/0295-5075/3/12/009
_journal_volume                  3
_journal_year                    1987
_chemical_formula_structural     'Ba2 Y Cu3 O7'
_chemical_formula_sum            'Ba2 Cu3 O7 Y'
_chemical_name_systematic        'Barium yttrium copper oxide (2/1/3/7)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8164(2)
_cell_length_b                   3.8824(2)
_cell_length_c                   11.6546(5)
_cell_volume                     172.7
_refine_ls_R_factor_all          0.069
_cod_duplicate_entry             1001456
_cod_database_code               1008486
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction
Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R; Europhysics Letters 3 (1987) 1301–1307; doi:10.1209/0295-5075/3/12/009

data_1008487
_publ_section_title
;
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5-
300)K by Neutron Powder Diffraction
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.1209/0295-5075/3/12/009
_journal_volume                  3
_journal_year                    1987
_chemical_formula_structural     'Ba2 Y Cu3 O7'
_chemical_formula_sum            'Ba2 Cu3 O7 Y'
_chemical_name_systematic        'Barium yttrium copper oxide (2/1/3/7)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8206(1)
_cell_length_b                   3.8851(1)
_cell_length_c                   11.6757(4)
_cell_volume                     173.3
_refine_ls_R_factor_all          0.071
_cod_duplicate_entry             1001457
_cod_database_code               1008487
Crystallographic and magnetic structures of Er~3~Si~5~
Auffret, S.; Pierre, J.; Lambert, B.; Soubeyroux, J. L.; Chroboczek, J. A.; Physica B: Condensed Matter 162 (1990) 271–280; doi:10.1016/0921-4526(90)90022-M

data_1008488
_publ_section_title
;
Crystallographic and magnetic structures of Er~3~Si~5~
;
_journal_coden_ASTM              PHYBE3
_journal_issue                   3
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              271
_journal_page_last               280
_journal_paper_doi               10.1016/0921-4526(90)90022-M
_journal_volume                  162
_journal_year                    1990
_chemical_formula_structural     'Er2 Si3.333'
_chemical_formula_sum            'Er2 Si3.333'
_chemical_name_systematic        'Erbium silicide (2/3.3)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.538(2)
_cell_length_b                   3.793(2)
_cell_length_c                   4.082(2)
_cell_volume                     101.2
_refine_ls_R_factor_all          0.082
_cod_database_code               1008488
Pb~3~Sr~3~Cu~3~O~8+δ~Cl: a new layered copper oxychloride
Cava, R. J.; Bordet, P.; Capponi, J. J.; Chaillout, C.; Chenavas, J.; Fournier, T.; Hewat, E. A.; Hodeau, J. L.; Levy, J. P.; Marezio, M.; Batlogg, B.; Rupp, Jr, L. W.; Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands) 167 (1990) 67–74; doi:10.1016/0921-4534(90)90487-Y

data_1008489
_publ_section_title
;
 Pb~3~Sr~3~Cu~3~O~8+\d~Cl: a new layered copper oxychloride
;
_journal_coden_ASTM              PHYCE6
_journal_issue                   1-2
_journal_name_full
;
 Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)
;
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1016/0921-4534(90)90487-Y
_journal_volume                  167
_journal_year                    1990
_chemical_formula_structural     'Pb3 Sr3 Cu Cu2 O8 Cl'
_chemical_formula_sum            'Cl Cu3 O8 Pb3 Sr3'
_chemical_name_systematic
;
Trilead tristrontium copper(I) dicopper octaoxide chloride
;
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.444(10)
_cell_length_b                   5.495(10)
_cell_length_c                   19.49(3)
_cell_volume                     583.0
_refine_ls_R_factor_all          0.055
_cod_database_code               1008489
Gold effect on chemical bonding in YBa~2~(Cu~1-y~,Au~y~)4/3O~6+x~
Renevier, H; Hodeau, J L; Fournier, T; Bordet, P; Marezio, M; Physica C (Amsterdam) (152,1988-) 172 (1990) 183–189; doi:10.1016/0921-4534(90)90658-2

data_1008490
_publ_section_title
;
Gold effect on chemical bonding in YBa~2~(Cu~1-y~,Au~y~)4/3O~6+x~
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              183
_journal_page_last               189
_journal_paper_doi               10.1016/0921-4534(90)90658-2
_journal_volume                  172
_journal_year                    1990
_chemical_formula_structural     'Y Ba2 (Cu0.967 Au0.033)3 O6.50'
_chemical_formula_sum            'Au0.099 Ba2 Cu2.901 O6.5 Y'
_chemical_name_systematic
;
Yttrium barium copper gold oxide (1/2/2.9/0.1/6.5)
;
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.842(1)
_cell_length_b                   3.878(1)
_cell_length_c                   11.765(2)
_cell_volume                     175.3
_refine_ls_R_factor_all          0.025
_cod_original_formula_sum        'Au.099 Ba2 Cu2.901 O6.5 Y'
_cod_database_code               1008490
Relationships between structural and electric properties of pure and mixed protonic conductors
Pontonnier, L; Fruchart, D; Fournier, T; Vaillant, F; Solid State Ionics 37 (1990) 307–316; doi:10.1016/0167-2738(90)90193-U

data_1008491
_publ_section_title
;
Relationships between structural and electric properties of pure and
mixed protonic conductors
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              307
_journal_page_last               316
_journal_paper_doi               10.1016/0167-2738(90)90193-U
_journal_volume                  37
_journal_year                    1990
_chemical_formula_structural     'H Sb (Te O6) (H2 O)'
_chemical_formula_sum            'H3 O7 Sb Te'
_chemical_name_systematic        'Hydrogen antimony(V) tellurate hydrate'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.287
_cell_length_b                   10.287
_cell_length_c                   10.287
_cell_volume                     1088.6
_refine_ls_R_factor_all          0.1
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1008491
Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~
Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D; European Journal of Solid State Inorganic Chemistry 27 (1990) 791–803; doi:

data_1008492
_publ_section_title
;
Structural and magnetic properties of 1D bimetallic chains in
Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              791
_journal_page_last               803
_journal_volume                  27
_journal_year                    1990
_chemical_formula_structural     'Ba2 Ca (Ca0.072 Co0.928) Fe2 F14'
_chemical_formula_sum            'Ba2 Ca1.072 Co0.928 F14 Fe2'
_chemical_name_systematic
;
Barium calcium cobalt iron(III) fluoride (2/1.1/0.9/2/14)
;
_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                 91.27(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.773(4)
_cell_length_b                   5.384(1)
_cell_length_c                   14.929(2)
_cell_volume                     1106.8
_refine_ls_R_factor_all          0.035
_cod_original_formula_sum        'Ba2 Ca1.072 Co.928 F14 Fe2'
_cod_database_code               1008492
Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~
Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D; European Journal of Solid State Inorganic Chemistry 27 (1990) 791–803; doi:

data_1008493
_publ_section_title
;
Structural and magnetic properties of 1D bimetallic chains in
Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              791
_journal_page_last               803
_journal_volume                  27
_journal_year                    1990
_chemical_formula_structural     'Ba2 Ca (Ca0.170 Co0.830) Fe2 F14'
_chemical_formula_sum            'Ba2 Ca1.17 Co0.83 F14 Fe2'
_chemical_name_systematic
;
Barium calcium cobalt iron(III) fluoride (2/1.2/0.8/2/14)
;
_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                 91.22(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.780(4)
_cell_length_b                   5.395(1)
_cell_length_c                   14.970(2)
_cell_volume                     1112.7
_refine_ls_R_factor_all          0.036
_cod_original_formula_sum        'Ba2 Ca1.17 Co.83 F14 Fe2'
_cod_database_code               1008493
Structure of iron dirhenium tetradecacarbonyl, (Re(CO)~5~Fe(CO)~4~Re(CO)~5~)
Agron, P A; Ellison, R D; Levy, H A; Acta Crystallographica C (39,1983-) 47 (1991) 913–916; doi:

data_1008494
_publ_section_title
;
Structure of iron dirhenium tetradecacarbonyl,
(Re(CO)~5~Fe(CO)~4~Re(CO)~5~)
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              913
_journal_page_last               916
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     '(Fe (C O)4 (Re (C O)5)2)'
_chemical_formula_sum            'C14 Fe O14 Re2'
_chemical_name_systematic        Tetracarbonylbis(pentacarbonylrhenio)iron
_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                 97.31(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.062(1)
_cell_length_b                   14.679(1)
_cell_length_c                   11.816(1)
_cell_volume                     2075.1
_refine_ls_R_factor_all          0.049
_cod_original_formula_sum        'Fe O14 Re2'
_cod_database_code               1008494
Layer structure of (CoCl(H~2~PO~2~)) . H~2~O
Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A; Acta Crystallographica C (39,1983-) 47 (1991) 1152–1155; doi:

data_1008495
_publ_section_title
;
Layer structure of (CoCl(H~2~PO~2~)) . H~2~O
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1152
_journal_page_last               1155
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Co (H2 P O2) Cl (H2 O)'
_chemical_formula_sum            'Cl Co H4 O3 P'
_chemical_name_systematic        'Cobalt phosphinate chloride hydrate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.416(4)
_cell_length_b                   13.082(7)
_cell_length_c                   9.483(5)
_cell_volume                     920.0
_refine_ls_R_factor_all          0.025
_cod_duplicate_entry             1000099
_cod_original_formula_sum        'H4 Cl Co O3 P'
_cod_database_code               1008495
Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium cyclo-hexaphosphate henicosahydrate
Bagieu-Bacher, M; Averbuch-Pouchot, M T; Rzaigui, M; Acta Crystallographica C (39,1983-) 47 (1991) 1364–1366; doi:

data_1008496
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium
cyclo-hexaphosphate henicosahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1364
_journal_page_last               1366
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Cr2 (P6 O18) (H2 O)21'
_chemical_formula_sum            'Cr2 H42 O39 P6'
_chemical_name_systematic        'Dichromium cyclo-hexaphosphate 21-water'
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.052(10)
_cell_length_b                   19.052(10)
_cell_length_c                   19.052(10)
_cell_volume                     6915.5
_refine_ls_R_factor_all          0.053
_cod_original_formula_sum        'H42 Cr2 O39 P6'
_cod_database_code               1008496
Structure of ammonium trithio-cyclo-triphosphate
Meisel, M; Wolf, G U; Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 47 (1991) 1368–1370; doi:

data_1008497
_publ_section_title
;
Structure of ammonium trithio-cyclo-triphosphate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1368
_journal_page_last               1370
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     '(N H4)3 (P3 O6 S3)'
_chemical_formula_sum            'H12 N3 O6 P3 S3'
_chemical_name_systematic        'Ammonium cyclo-trithiohexaoxotriphosphate'
_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                   12.450(8)
_cell_length_b                   12.755(8)
_cell_length_c                   8.154(6)
_cell_volume                     1294.9
_refine_ls_R_factor_all          0.041
_cod_database_code               1008497
Structure and twinning of Sr~3~CuPtO~6~
Hodeau, J L; Tu, H Y; Bordet, P; Fournier, T; Strobel, P; Marezio, M; Chandrashekhar, G V; Acta Crystallographica B (39,1983-) 48 (1992) 1–11; doi:

data_1008498
_publ_section_title              'Structure and twinning of Sr~3~CuPtO~6~'
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              1
_journal_page_last               11
_journal_volume                  48
_journal_year                    1992
_chemical_formula_structural     'Sr3 Cu Pt O6'
_chemical_formula_sum            'Cu O6 Pt Sr3'
_chemical_name_systematic        'Tristrontium copper platinum(IV) 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                 91.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.317(4)
_cell_length_b                   9.720(4)
_cell_length_c                   6.685(3)
_cell_volume                     605.1
_refine_ls_R_factor_all          0.048
_cod_database_code               1008498
Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)
Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J; Journal of Physics: Condensed Matter 4 (1992) 6367–6374; doi:10.1088/0953-8984/4/30/003

data_1008499
_publ_section_title
;
Magnetic characterization and structural study of new ternary carbides:
ThFe~11~C~x~(1.5<= x<= 2)
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6367
_journal_page_last               6374
_journal_paper_doi               10.1088/0953-8984/4/30/003
_journal_volume                  4
_journal_year                    1992
_chemical_formula_structural     'Th Fe11 C1.384'
_chemical_formula_sum            'C1.5 Fe11 Th'
_chemical_name_systematic        'Thorium iron carbide (1/11/1.4)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.203(1)
_cell_length_b                   10.203(1)
_cell_length_c                   6.611(1)
_cell_measurement_temperature    300
_cell_volume                     688.2
_refine_ls_R_factor_all          0.035
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_original_formula_sum        'Fe11 Th'
_cod_database_code               1008499
Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)
Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J; Journal of Physics: Condensed Matter 4 (1992) 6367–6374; doi:10.1088/0953-8984/4/30/003

data_1008500
_publ_section_title
;
Magnetic characterization and structural study of new ternary carbides:
ThFe~11~C~x~(1.5<= x<= 2)
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6367
_journal_page_last               6374
_journal_paper_doi               10.1088/0953-8984/4/30/003
_journal_volume                  4
_journal_year                    1992
_chemical_formula_structural     'Th Fe11 C1.784'
_chemical_formula_sum            'C2 Fe11 Th'
_chemical_name_systematic        'Thorium iron carbide (1/11/1.8)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.249(1)
_cell_length_b                   10.249(1)
_cell_length_c                   6.649
_cell_measurement_temperature    300
_cell_volume                     698.4
_refine_ls_R_factor_all          0.007
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_original_formula_sum        'Fe11 Th'
_cod_database_code               1008500
Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)
Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J; Journal of Physics: Condensed Matter 4 (1992) 6367–6374; doi:10.1088/0953-8984/4/30/003

data_1008501
_publ_section_title
;
Magnetic characterization and structural study of new ternary carbides:
ThFe~11~C~x~(1.5<= x<= 2)
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6367
_journal_page_last               6374
_journal_paper_doi               10.1088/0953-8984/4/30/003
_journal_volume                  4
_journal_year                    1992
_chemical_formula_structural     'Th Fe11 C1.288'
_chemical_formula_sum            'C1.35 Fe11 Th'
_chemical_name_systematic        'Thorium iron carbide (1/11/1.3)'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.191(1)
_cell_length_b                   10.191(1)
_cell_length_c                   6.609(1)
_cell_measurement_temperature    300
_cell_volume                     686.4
_refine_ls_R_factor_all          0.02
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_original_formula_sum        'Fe11 Th'
_cod_database_code               1008501