LMucko/crystallography-open-database huggingface dataset:
X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides
Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y; Kristallografiya 31 (1986) 803–805; doi:

data_1000057
_publ_section_title
;
X-ray structural investigation of single crystals of lanthanum, cerium,
and samarium hexaborides
;
_journal_coden_ASTM              KRISAJ
_journal_name_full               Kristallografiya
_journal_page_first              803
_journal_page_last               805
_journal_volume                  31
_journal_year                    1986
_chemical_formula_structural     'La B6'
_chemical_formula_sum            'B6 La'
_chemical_name_systematic        'Lanthanum boride (1/6)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_method           'generated by DC-CRISMAT'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1570(1)
_cell_length_b                   4.1570(1)
_cell_length_c                   4.1570(1)
_cell_volume                     71.8
_exptl_crystal_density_meas      4.71(0)
_cod_database_code               1000057
Structural studies of rutile-type metal dioxides
Bolzan A A; Fong C; Kennedy B J; Howard C J; Acta Crystallographica, Section B 53 (1997) 373–380; doi:

data_1000058
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              373
_journal_page_last               380
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Ru O2'
_chemical_formula_sum            'O2 Ru'
_chemical_name_systematic        'Ruthenium(IV) oxide'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4968(2)
_cell_length_b                   4.4968(2)
_cell_length_c                   3.1049(1)
_cell_volume                     62.8
_database_code_amcsd             0019241
_exptl_crystal_density_diffrn    7.039
_cod_database_code               1000058
_amcsd_formula_title             RuO2
Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites
Wang, X - L; Hubbard, C R; Alexander, K B; Becher, P F; Journal of the American Ceramic Society 77 (1994) 1569–1575; doi:10.1111/j.1151-2916.1994.tb09758.x

data_1000059
_publ_section_title
;
Neutron diffraction measurements of the residual stresses in Al2 O3 - 
Zr O2 (Ce O2) ceramic composites
;
_journal_coden_ASTM              JACTAW
_journal_issue                   6
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1569
_journal_page_last               1575
_journal_paper_doi               10.1111/j.1151-2916.1994.tb09758.x
_journal_volume                  77
_journal_year                    1994
_chemical_formula_structural     'Al2 O3'
_chemical_formula_sum            'Al2 O3'
_chemical_name_systematic        'Aluminium oxide'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.7554(3)
_cell_length_b                   4.7554(3)
_cell_length_c                   12.9910(6)
_cell_volume                     254.4
_refine_ls_R_factor_all          0.07
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_database_code               1000059
Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C
Morosin, B; Lynch, R W; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1040–1046; doi:10.1107/S0567740872003681

data_1000060
_publ_section_title
;
Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1040
_journal_page_last               1046
_journal_paper_doi               10.1107/S0567740872003681
_journal_volume                  28
_journal_year                    1972
_chemical_formula_structural     'Al2 Ti O5'
_chemical_formula_sum            'Al2 O5 Ti'
_chemical_name_systematic        'Aluminium pentaoxotitanate'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.429(2)
_cell_length_b                   9.636(2)
_cell_length_c                   3.591(1)
_cell_volume                     326.3
_refine_ls_R_factor_all          0.098
_cod_database_code               1000060
Verfeinerung der Struktur des Bayerits, Al (O H)3
Rothbauer, R; Zigan, F; O'Daniel, H; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 125 (1967) 317–331; doi:

data_1000061
_publ_section_title
;
Verfeinerung der Struktur des Bayerits, Al (O H)3
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              317
_journal_page_last               331
_journal_volume                  125
_journal_year                    1967
_chemical_formula_structural     'Al (O H)3'
_chemical_formula_sum            'Al H3 O3'
_chemical_name_mineral           Bayerite
_chemical_name_systematic        'Aluminium hydroxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.27(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.062(1)
_cell_length_b                   8.671(2)
_cell_length_c                   4.713(1)
_cell_volume                     206.9
_database_code_amcsd             0010649
_exptl_crystal_density_diffrn    2.505
_refine_ls_R_factor_all          0.11
_cod_original_formula_sum        'H3 Al O3'
_cod_database_code               1000061
Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures
Baur, W H; Khan, A A; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_1000062
_publ_section_title
;
Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other
Rutile-Type Structures
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     'Sn O2'
_chemical_formula_sum            'O2 Sn'
_chemical_name_mineral           Cassiterite
_chemical_name_systematic        'Tin(IV) oxide'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7380(1)
_cell_length_b                   4.7380(1)
_cell_length_c                   3.1865(2)
_cell_volume                     71.5
_refine_ls_R_factor_all          0.036
_cod_database_code               1000062
Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O
Neuburger, M C; Zeitschrift fuer Physik 67 (1930) 845–850; doi:10.1007/BF01390765

data_1000063
_publ_section_title
;
Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O
;
_journal_coden_ASTM              ZEPYAA
_journal_name_full               'Zeitschrift fuer Physik'
_journal_page_first              845
_journal_page_last               850
_journal_paper_doi               10.1007/BF01390765
_journal_volume                  67
_journal_year                    1930
_chemical_compound_source        synthetic
_chemical_formula_structural     'Cu2 O'
_chemical_formula_sum            'Cu2 O'
_chemical_name_mineral           Cuprite
_chemical_name_systematic        'Copper(I) oxide'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.252(2)
_cell_length_b                   4.252(2)
_cell_length_c                   4.252(2)
_cell_volume                     76.9
_exptl_crystal_density_meas      5.92(17)
_cod_original_sg_symbol_H-M      'P n -3 m S'
_cod_database_code               1000063
X-ray Determination of Electron Distributions in Forsterite, Fayalite and Tephroite
Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 513–518; doi:10.1107/S0567740881003506

data_1000064
_publ_section_title
;
 X-ray Determination of Electron Distributions in Forsterite, Fayalite
 and Tephroite
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   3
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              513
_journal_page_last               518
_journal_paper_doi               10.1107/S0567740881003506
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Fe2 Si O4'
_chemical_formula_sum            'Fe2 O4 Si'
_chemical_name_mineral           Fayalite
_chemical_name_systematic        'Iron silicate - \a'
_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                   4.8195(6)
_cell_length_b                   10.4788(17)
_cell_length_c                   6.0873(8)
_cell_volume                     307.4
_database_code_amcsd             0009731
_exptl_crystal_density_diffrn    4.403
_refine_ls_R_factor_all          0.0255
_cod_database_code               1000064
Order-disorder transformations in graphite nitrates
Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences 291 (1966) 324–339; doi:10.1098/rspa.1966.0098

data_1000065
_publ_section_title
;
 Order-disorder transformations in graphite nitrates
;
_journal_coden_ASTM              PRLAAZ
_journal_issue                   1426
_journal_name_full
;
 Proceedings of the Royal Society of London, Series A: Mathematical and
 Physical Sciences
;
_journal_page_first              324
_journal_page_last               339
_journal_paper_doi               10.1098/rspa.1966.0098
_journal_volume                  291
_journal_year                    1966
_chemical_formula_analytical     'C (H N O3)'
_chemical_formula_structural     C
_chemical_formula_sum            C
_chemical_name_common            'Graphite nitrate'
_chemical_name_systematic        Carbon
_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            12
_cell_length_a                   2.46
_cell_length_b                   2.46
_cell_length_c                   33.45
_cell_volume                     175.3
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1000065
Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The oxide Y Ba~2~ Cu~3-x~ Pd~x~ O~y~ (x=0.5) with Pd^2+^ in square planar coordination.
Ferey, G; Le Bail, A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R; Physica C (Amsterdam) (152,1988-) 153 (1988) 489–490; doi:

data_1000066
_publ_section_title
;
Ordered Pd^2+^ - Cu^2+^ substitution in 1.2.3. superconductor: The
oxide Y Ba~2~ Cu~3-x~ Pd~x~ O~y~ (x=0.5) with Pd^2+^ in square planar
coordination.
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              489
_journal_page_last               490
_journal_volume                  153
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Pd.5 Cu2.5 O7'
_chemical_formula_sum            'Ba2 Cu2.5 O7 Pd0.5 Y'
_chemical_name_systematic
;
Yttrium barium palladium copper oxide (1/2/.5/2.5/7)
;
_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                   3.841(1)
_cell_length_b                   3.883(1)
_cell_length_c                   11.671(3)
_cell_volume                     174.1
_refine_ls_R_factor_all          0.0577
_cod_original_formula_sum        'Ba2 Cu2.5 O7 Pd.5 Y'
_cod_database_code               1000066
Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction
Le Bail, A; Duroy, H; Fourquet, J L; Materials Research Bulletin 23 (1988) 447–452; doi:10.1016/0025-5408(88)90019-0

data_1000067
_publ_section_title
;
Ab-initio structure determination of Li Sb W O~6~ by X-ray powder
diffraction
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              447
_journal_page_last               452
_journal_paper_doi               10.1016/0025-5408(88)90019-0
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Li Sb W O6'
_chemical_formula_sum            'Li O6 Sb W'
_chemical_name_systematic        'Lithium antimony(V) tungstate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6664(1)
_cell_length_b                   17.4435(5)
_cell_length_c                   4.9941(2)
_cell_volume                     406.5
_exptl_crystal_density_meas      6.68
_refine_ls_R_factor_all          0.0516
_cod_database_code               1000067
Li Nb W O~6~: Crystal structure of its two allotropic forms
Fourquet, J L; Le Bail, A; Gillet, P A; Materials Research Bulletin 23 (1988) 1163–1170; doi:10.1016/0025-5408(88)90207-3

data_1000068
_publ_section_title
;
Li Nb W O~6~: Crystal structure of its two allotropic forms
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1163
_journal_page_last               1170
_journal_paper_doi               10.1016/0025-5408(88)90207-3
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Li Nb W O6'
_chemical_formula_sum            'Li Nb O6 W'
_chemical_name_systematic        'Lithium niobium tungstate -$-alpha'
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6819(2)
_cell_length_b                   4.6819(2)
_cell_length_c                   9.2757(5)
_cell_volume                     203.3
_refine_ls_R_factor_all          0.0974
_cod_database_code               1000068
Li Nb W O~6~: Crystal structure of its two allotropic forms
Fourquet, J L; Le Bail, A; Gillet, P A; Materials Research Bulletin 23 (1988) 1163–1170; doi:10.1016/0025-5408(88)90207-3

data_1000069
_publ_section_title
;
Li Nb W O~6~: Crystal structure of its two allotropic forms
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1163
_journal_page_last               1170
_journal_paper_doi               10.1016/0025-5408(88)90207-3
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Li Nb W O6'
_chemical_formula_sum            'Li Nb O6 W'
_chemical_name_systematic        'Lithium niobium tungstate -$-alpha'
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6818(6)
_cell_length_b                   4.6818(6)
_cell_length_c                   9.2754(15)
_cell_volume                     203.3
_refine_ls_R_factor_all          0.0822
_cod_database_code               1000069
Li Nb W O~6~: Crystal structure of its two allotropic forms
Fourquet, J L; Le Bail, A; Gillet, P A; Materials Research Bulletin 23 (1988) 1163–1170; doi:10.1016/0025-5408(88)90207-3

data_1000070
_publ_section_title
;
Li Nb W O~6~: Crystal structure of its two allotropic forms
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1163
_journal_page_last               1170
_journal_paper_doi               10.1016/0025-5408(88)90207-3
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Li Nb W O6'
_chemical_formula_sum            'Li Nb O6 W'
_chemical_name_systematic        'Lithium niobium tungstate - $-beta'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.1562(9)
_cell_length_b                   5.1562(9)
_cell_length_c                   13.664(3)
_cell_volume                     314.6
_refine_ls_R_factor_all          0.1028
_cod_original_sg_symbol_H-M      'R 3 c H'
_cod_database_code               1000070
Synthesis and ab-initio structure determination from X-ray powder data of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~
Laligant, Y; Le Bail, A; Ferey, G; Hervieu, M; Raveau, B; Wilkinson, A; Cheetham, A K; European Journal of Solid State Inorganic Chemistry 25 (1988) 237–246; doi:

data_1000071
_publ_section_title
;
Synthesis and ab-initio structure determination from X-ray powder data
of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural
correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              237
_journal_page_last               246
_journal_volume                  25
_journal_year                    1988
_chemical_formula_structural     'Ba2 Pd O3'
_chemical_formula_sum            'Ba2 O3 Pd'
_chemical_name_systematic        'Dibarium palladate'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.335(2)
_cell_length_b                   4.080(5)
_cell_length_c                   3.8362(4)
_cell_volume                     208.7
_refine_ls_R_factor_all          0.0853
_cod_database_code               1000071
Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray Powder Diffraction
Le Bail, A; Ferey, G; Amoros, P; Beltran Porter, D; Villeneuve, G; Journal of Solid State Chemistry 79 (1989) 169–176; doi:10.1016/0022-4596(89)90262-4

data_1000072
_publ_section_title
;
Crystal Structure of $+beta-V O (H P O~4~) (H~2~ O)2 Solved from X-Ray
Powder Diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              169
_journal_page_last               176
_journal_paper_doi               10.1016/0022-4596(89)90262-4
_journal_volume                  79
_journal_year                    1989
_chemical_formula_structural     'V O (H P O4) (H2 O)2'
_chemical_formula_sum            'H5 O7 P V'
_chemical_name_systematic
;
Oxovanadium(IV) hydrogenphosphate dihydrate - $+beta
;
_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                89.66(2)
_cell_angle_beta                 102.14(2)
_cell_angle_gamma                92.23(2)
_cell_formula_units_Z            4
_cell_length_a                   5.659(2)
_cell_length_b                   7.578(4)
_cell_length_c                   12.623(5)
_cell_volume                     528.8
_refine_ls_R_factor_all          0.0764
_cod_database_code               1000072
Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction
Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G; Journal of Solid State Chemistry 80 (1989) 206–212; doi:10.1016/0022-4596(89)90081-9

data_1000073
_publ_section_title
;
Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron
Diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              206
_journal_page_last               212
_journal_paper_doi               10.1016/0022-4596(89)90081-9
_journal_volume                  80
_journal_year                    1989
_chemical_formula_structural     'Li3 Th F7'
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Trilithium thorium fluoride'
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.7885(1)
_cell_length_b                   8.7685(1)
_cell_length_c                   12.958(2)
_cell_volume                     998.6
_refine_ls_R_factor_all          0.0393
_cod_original_sg_symbol_H-M      'C c c a Z'
_cod_database_code               1000073