LMucko/crystallography-open-database huggingface dataset:
Synthese et structure du niobouranate de cesium:CsNbUo~6~
Gasperin, M; Acta Crystallographica C (39,1983-) 43 (1987) 404–406; doi:

data_1001338
_publ_section_title
;
Synthese et structure du niobouranate de cesium:CsNbUo~6~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              404
_journal_page_last               406
_journal_volume                  43
_journal_year                    1987
_chemical_formula_structural     'Cs Nb U O6'
_chemical_formula_sum            'Cs Nb O6 U'
_chemical_name_systematic        'Caesium niobium uranium hexaoxide'
_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                 105.08(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.430(1)
_cell_length_b                   8.700(1)
_cell_length_c                   10.668(2)
_cell_volume                     665.8
_refine_ls_R_factor_all          0.052
_cod_database_code               1001338
Synthese en monocristaux et structure du monouranate de sodium β-Na~2~UO~4~
Gasperin, M.; Journal of Solid State Chemistry 60 (1985) 316–319; doi:10.1016/0022-4596(85)90282-8

data_1001339
_publ_section_title
;
 Synthese en monocristaux et structure du monouranate de sodium \b-Na~2~UO~4~
;
_journal_coden_ASTM              JSSCBI
_journal_issue                   3
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              316
_journal_page_last               319
_journal_paper_doi               10.1016/0022-4596(85)90282-8
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Na2 U O4'
_chemical_formula_sum            'Na2 O4 U'
_chemical_name_systematic        'Disodium uranate'
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.802(2)
_cell_length_b                   5.969(2)
_cell_length_c                   11.699(3)
_cell_volume                     405.2
_refine_ls_R_factor_all          0.075
_cod_database_code               1001339
Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~
Cousson, A; Abazli, H; Jove, J; Gasperin, M; Journal of the Less-Common Metals 109 (1985) 155–168; doi:10.1016/0022-5088(85)90115-8

data_1001340
_publ_section_title
;
Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~
et Cu Np~2~ F~10~ (H~2~ O)~6~
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              155
_journal_page_last               168
_journal_paper_doi               10.1016/0022-5088(85)90115-8
_journal_volume                  109
_journal_year                    1985
_chemical_formula_structural     'Co Np2 F10 (H2 O)8'
_chemical_formula_sum            'Co F10 H16 Np2 O8'
_chemical_name_systematic        'Cobalt dineptunium decafluoride octahydrate'
_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                 94.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.803(2)
_cell_length_b                   7.040(2)
_cell_length_c                   11.066(3)
_cell_volume                     684.0
_refine_ls_R_factor_all          0.034
_cod_original_formula_sum        'H16 Co F10 Np2 O8'
_cod_database_code               1001340
Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~
Cousson, A; Abazli, H; Jove, J; Gasperin, M; Journal of the Less-Common Metals 109 (1985) 155–168; doi:10.1016/0022-5088(85)90115-8

data_1001341
_publ_section_title
;
Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~
et Cu Np~2~ F~10~ (H~2~ O)~6~
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              155
_journal_page_last               168
_journal_paper_doi               10.1016/0022-5088(85)90115-8
_journal_volume                  109
_journal_year                    1985
_chemical_formula_structural     'Cu Np2 F10 (H2 O)6'
_chemical_formula_sum            'Cu F10 H12 Np2 O6'
_chemical_name_systematic        'Copper dineptunium decafluoride hexahydrate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.043(4)
_cell_length_b                   7.128(2)
_cell_length_c                   8.593(2)
_cell_volume                     1158.6
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'H12 Cu F10 Np2 O6'
_cod_database_code               1001341
Tl Mo~2~^IV^ P~3~ O~12~: A Molybdenophosphate with a Tunnel Structure
Leclaire, A; Monier, J C; Raveau, B; Journal of Solid State Chemistry 59 (1985) 301–305; doi:10.1016/0022-4596(85)90297-X

data_1001342
_publ_section_title
;
Tl Mo~2~^IV^ P~3~ O~12~: A Molybdenophosphate with a Tunnel Structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              301
_journal_page_last               305
_journal_paper_doi               10.1016/0022-4596(85)90297-X
_journal_volume                  59
_journal_year                    1985
_chemical_formula_structural     'Tl (Mo2 P3 O12)'
_chemical_formula_sum            'Mo2 O12 P3 Tl'
_chemical_name_systematic        'Thallium dimolybdenotriphosphate'
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.836(1)
_cell_length_b                   9.255(1)
_cell_length_c                   12.288(1)
_cell_volume                     1004.9
_refine_ls_R_factor_all          0.055
_cod_database_code               1001342
TlMo~2~P~3~O~12~: A Molybdenophosphate with a Tunnel Structure
Leclaire, A; Monier, J C; Raveau, B; Journal of Solid State Chemistry 59 (1985) 301–305; doi:10.1016/0022-4596(85)90297-X

data_1001343
_publ_section_title
;
TlMo~2~P~3~O~12~: A Molybdenophosphate with a Tunnel Structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              301
_journal_page_last               305
_journal_paper_doi               10.1016/0022-4596(85)90297-X
_journal_volume                  59
_journal_year                    1985
_chemical_formula_structural     'Tl Mo2 P3 O12'
_chemical_formula_sum            'Mo2 O12 P3 Tl'
_chemical_name_systematic        'Thallium molybdenophosphate *'
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.836(1)
_cell_length_b                   9.255(1)
_cell_length_c                   12.288(1)
_cell_volume                     1004.9
_refine_ls_R_factor_all          0.055
_cod_database_code               1001343
_cod_duplicate_entry 1001342
Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III)
Leclaire, A; Raveau, B; Journal of Solid State Chemistry 71 (1987) 283–290; doi:10.1016/0022-4596(87)90235-0

data_1001344
_publ_section_title
;
Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              283
_journal_page_last               290
_journal_paper_doi               10.1016/0022-4596(87)90235-0
_journal_volume                  71
_journal_year                    1987
_chemical_formula_structural     'Mo (P3 Si O11)'
_chemical_formula_sum            'Mo O11 P3 Si'
_chemical_name_systematic        'Molybdenum(III) silicophosphate'
_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                 110.05(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.584(2)
_cell_length_b                   8.416(1)
_cell_length_c                   14.180(1)
_cell_volume                     1635.0
_refine_ls_R_factor_all          0.027
_cod_database_code               1001344
Structure du borate d'uranium U B~2~ O~6~
Gasperin, M; Acta Crystallographica C (39,1983-) 43 (1987) 2031–2033; doi:

data_1001345
_publ_section_title              'Structure du borate d'uranium U B~2~ O~6~'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2031
_journal_page_last               2033
_journal_volume                  43
_journal_year                    1987
_chemical_formula_structural     'U B2 O6'
_chemical_formula_sum            'B2 O6 U'
_chemical_name_systematic        'Uranium borate *'
_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                 122.18(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.504(3)
_cell_length_b                   4.183(1)
_cell_length_c                   10.453(3)
_cell_volume                     462.7
_exptl_crystal_density_meas      5.1
_refine_ls_R_factor_all          0.066
_cod_database_code               1001345
Synthese en monocristaux et structure du monouranate de sodium β-Na~2~UO~4~
Gasperin, M.; Journal of Solid State Chemistry 60 (1985) 316–319; doi:10.1016/0022-4596(85)90282-8

data_1001346
_publ_section_title
;
 Synthese en monocristaux et structure du monouranate de sodium \b-Na~2~UO~4~
;
_journal_coden_ASTM              JSSCBI
_journal_issue                   3
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              316
_journal_page_last               319
_journal_paper_doi               10.1016/0022-4596(85)90282-8
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Na2 U O4'
_chemical_formula_sum            'Na2 O4 U'
_chemical_name_systematic        'Disodium uranate - \b'
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.802(2)
_cell_length_b                   5.969(2)
_cell_length_c                   11.699(3)
_cell_volume                     405.2
_refine_ls_R_factor_all          0.075
_cod_duplicate_entry             1001339
_cod_database_code               1001346
Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.
Gasperin, M; Acta Crystallographica C (39,1983-) 43 (1987) 1247–1250; doi:

data_1001347
_publ_section_title
;
Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1247
_journal_page_last               1250
_journal_volume                  43
_journal_year                    1987
_chemical_formula_structural     'Ca B2 U2 O10'
_chemical_formula_sum            'B2 Ca O10 U2'
_chemical_name_systematic        'Calcium diboron diuranium decaoxide'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.97(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.512(3)
_cell_length_b                   8.169(2)
_cell_length_c                   6.582(1)
_cell_volume                     881.3
_refine_ls_R_factor_all          0.028
_cod_database_code               1001347
BaMn~1-x~Fe~x~O~3-d~, an Oxygen-Deficient ~6~H' Oxide Electron Microscopy, Powder Neutron Diffraction, and Moessbauer Study
Caignaert, V; Hervieu, M; Domenges, B; Nguyen, N; Pannetier, J; Raveau, B; Journal of Solid State Chemistry 73 (1988) 107–117; doi:10.1016/0022-4596(88)90060-6

data_1001348
_publ_section_title
;
BaMn~1-x~Fe~x~O~3-d~, an Oxygen-Deficient ~6~H' Oxide Electron
Microscopy, Powder Neutron Diffraction, and Moessbauer Study
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              107
_journal_page_last               117
_journal_paper_doi               10.1016/0022-4596(88)90060-6
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Ba Mn.767 Fe.233 O2.87'
_chemical_formula_sum            'Ba Fe0.233 Mn0.767 O2.87'
_chemical_name_systematic        'Barium manganese iron oxide *'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.687(2)
_cell_length_b                   5.687(2)
_cell_length_c                   14.167(4)
_cell_volume                     396.8
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'Ba Fe.233 Mn.767 O2.87'
_cod_database_code               1001348
Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).
Leclaire, A; Raveau, B; Acta Crystallographica C (39,1983-) 44 (1988) 226–229; doi:

data_1001349
_publ_section_title
;
Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~
O~12~ (A = K, Rb, Tl).
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              226
_journal_page_last               229
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     'K (Mo2 P3 O12)'
_chemical_formula_sum            'K Mo2 O12 P3'
_chemical_name_systematic        'Potassium dimolybdenophosphate(V)'
_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            8
_cell_length_a                   17.6398(14)
_cell_length_b                   9.1761(4)
_cell_length_c                   12.3000(8)
_cell_volume                     1990.9
_refine_ls_R_factor_all          0.028
_cod_database_code               1001349
Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl).
Leclaire, A; Raveau, B; Acta Crystallographica C (39,1983-) 44 (1988) 226–229; doi:

data_1001350
_publ_section_title
;
Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~
O~12~ (A = K, Rb, Tl).
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              226
_journal_page_last               229
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     'Rb (Mo2 P3 O12)'
_chemical_formula_sum            'Mo2 O12 P3 Rb'
_chemical_name_systematic        'Rubidium dimolybdenotriphosphate(V)'
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8314(8)
_cell_length_b                   9.2368(7)
_cell_length_c                   12.3051(9)
_cell_volume                     1003.8
_refine_ls_R_factor_all          0.044
_cod_database_code               1001350
Na~2~U~2~O~7~: Synthese et structure d'un monocristal
Gasperin, M; Journal of the Less-Common Metals 119 (1986) 83–90; doi:10.1016/0022-5088(86)90198-0

data_1001351
_publ_section_title
;
Na~2~U~2~O~7~: Synthese et structure d'un monocristal
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              83
_journal_page_last               90
_journal_paper_doi               10.1016/0022-5088(86)90198-0
_journal_volume                  119
_journal_year                    1986
_chemical_formula_structural     'Na (U O1.5) O2'
_chemical_formula_sum            'Na O3.5 U'
_chemical_name_systematic        'Sodium uranate *'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.911(2)
_cell_length_b                   3.911(2)
_cell_length_c                   17.857(5)
_cell_volume                     236.5
_refine_ls_R_factor_all          0.082
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1001351
Sr~2~Mn~2~O~5~, an oxygen-defect perovskite with Mn(III) in square pyramidal coordination
Caignaert, V.; Nguyen, N.; Hervieu, M.; Raveau, B.; Materials Research Bulletin 20 (1985) 479–484; doi:10.1016/0025-5408(85)90101-1

data_1001352
_publ_section_title
;
Sr~2~Mn~2~O~5~, an oxygen-defect perovskite with Mn(III) in square
pyramidal coordination
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              479
_journal_page_last               484
_journal_paper_doi               10.1016/0025-5408(85)90101-1
_journal_volume                  20
_journal_year                    1985
_chemical_formula_structural     'Sr2 Mn2 O5'
_chemical_formula_sum            'Mn2 O5 Sr2'
_chemical_name_systematic        'Distrontium dimanganese pentaoxide'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.523(1)
_cell_length_b                   10.761(5)
_cell_length_c                   3.811(1)
_cell_volume                     226.5
_exptl_crystal_thermal_history
;
 SrCO3 and Mn3O4 were first mixed and heated at 1100\%C in air, and
 then heated at 1450\%C in air.

 The resulting product was heated in an evacuated silica ampoule at
 500\%C in the presence of zirconium.
;
_refine_ls_R_factor_all          0.031
_cod_depositor_comments
;

  After consulting the originnal paper, fixing coordinate x for the Sr
  site, adding B-factors, adding sample thermal history and fixing
  author name syntax.

  Saulius Gra\<zulis
  2013-10-30
;
_cod_database_code               1001352
A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile structure by chemical twinning
Mezaoui, D; Michel, C; Groult, D; Raveau, B; Materials Research Bulletin 21 (1986) 1039–1044; doi:10.1016/0025-5408(86)90218-7

data_1001353
_publ_section_title
;
A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile
structure by chemical twinning
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1039
_journal_page_last               1044
_journal_paper_doi               10.1016/0025-5408(86)90218-7
_journal_volume                  21
_journal_year                    1986
_chemical_formula_structural     'Ba Ti3 Nb4 O17'
_chemical_formula_sum            'Ba Nb4 O17 Ti3'
_chemical_name_systematic        'Barium titanium niobium oxide (1/3/4/17)'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.639(7)
_cell_length_b                   8.957(11)
_cell_length_c                   21.145(16)
_cell_volume                     1257.4
_exptl_crystal_density_meas      4.89
_refine_ls_R_factor_all          0.09
_cod_database_code               1001353
New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~ structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb: 12<x<.33; M(V)=Ta: x=.33)
Mouron, P; Choisnet, J; Journal of Solid State Chemistry 66 (1987) 311–317; doi:10.1016/0022-4596(87)90200-3

data_1001354
_publ_section_title
;
New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~
structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb:
12<x<.33; M(V)=Ta: x=.33)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              311
_journal_page_last               317
_journal_paper_doi               10.1016/0022-4596(87)90200-3
_journal_volume                  66
_journal_year                    1987
_chemical_formula_structural     'Li (Cu2.67 Li.33) (Ti2.67 Nb1.33) O12'
_chemical_formula_sum            'Cu2.67 Li1.33 Nb1.33 O12 Ti2.67'
_chemical_name_systematic
;
Lithium copper titanium niobium oxide (1.33/2.67/2.67/1.33/12)
;
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4314(3)
_cell_length_b                   7.4314(3)
_cell_length_c                   7.4314(3)
_cell_volume                     410.4
_refine_ls_R_factor_all          0.036
_cod_database_code               1001354