LMucko/crystallography-open-database huggingface dataset:
Crystal structure and electrical properties of K2 P4 W12 O44, the m=6 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m
Roussel, P.; Drouard, S.; Groult, D.; Labbe, P.H.; Schlenker, C.; Dumas, J.; Journal of Materials Chemistry 9 (1999) 973–978; doi:

data_7221074
_publ_section_title
;
 Crystal structure and electrical properties of K2 P4 W12 O44, the m=6
 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              973
_journal_page_last               978
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'K1.012 O22 P2 W6'
_chemical_name_systematic        'K1.012 P2 W6 O22'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.615
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.6736
_cell_length_b                   5.3543
_cell_length_c                   11.9005
_cell_volume                     424.791
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Roussel_JMACEP_1999_164.cif
_cod_data_source_block           K1.012O22P2W6
_cod_original_cell_volume        424.7913
_cod_database_code               7221074
Structural and electrical characterisation of the series La1.33 Nax Mnx Ti2-x O6
Ruiz, A.I.; Lopez, M.L.; Pico, C.; Veiga, M.L.; European Journal of Inorganic Chemistry 2000 (2000) 659–664; doi:

data_4031171
_publ_section_title
;
 Structural and electrical characterisation of the series La1.33 Nax Mnx
 Ti2-x O6
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              659
_journal_page_last               664
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La1.33 Mn0.66 Na0.66 O6 Ti1.34'
_chemical_name_systematic        '(La1.33 Na0.66) (Mn0.66 Ti1.34) O6'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2c'
_symmetry_space_group_name_H-M   'I b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4881
_cell_length_b                   5.4757
_cell_length_c                   7.7407
_cell_volume                     232.617
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Ruiz_EJICFO_2000_1083.cif
_cod_data_source_block           La1.33Mn0.66Na0.66O6Ti1.34
_cod_original_cell_volume        232.6172
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,x,y)'
_cod_database_code               4031171
Structural and electrical characterisation of the series La1.33 Nax Mnx Ti2-x O6
Ruiz, A.I.; Veiga, M.L.; Lopez, M.L.; Pico, C.; European Journal of Inorganic Chemistry 2000 (2000) 659–664; doi:

data_4031172
_publ_section_title
;
 Structural and electrical characterisation of the series La1.33 Nax Mnx
 Ti2-x O6
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              659
_journal_page_last               664
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La1.33 Mn0.66 Na0.66 O6 Ti1.34'
_chemical_name_systematic        '(La1.33 Na0.66) (Mn0.66 Ti1.34) O6'
_space_group_IT_number           167
_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                   5.5055
_cell_length_b                   5.5055
_cell_length_c                   13.4618
_cell_volume                     353.368
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Ruiz_EJICFO_2000_1085.cif
_cod_data_source_block           La1.33Mn0.66Na0.66O6Ti1.34
_cod_database_code               4031172
Structural and electrical characterisation of the series La1.33 Nax Mnx Ti2-x O6
Ruiz, A.I.; Lopez, M.L.; Veiga, M.L.; Pico, C.; European Journal of Inorganic Chemistry 2000 (2000) 659–664; doi:

data_4031173
_publ_section_title
;
 Structural and electrical characterisation of the series La1.33 Nax Mnx
 Ti2-x O6
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              659
_journal_page_last               664
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'La1.33 Mn0.44 Na0.44 O6 Ti1.56'
_chemical_name_systematic        '(La1.33 Na0.44) (Mn0.44 Ti1.56) O6'
_space_group_IT_number           167
_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                   5.49
_cell_length_b                   5.49
_cell_length_c                   13.434
_cell_volume                     350.656
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Ruiz_EJICFO_2000_1087.cif
_cod_data_source_block           La1.33Mn0.44Na0.44O6Ti1.56
_cod_original_cell_volume        350.6555
_cod_database_code               4031173
Bonding in Trivalent Transition Metal Cyanides. Crystal Structures of Cs2 Li M (C N)6 (M = Cr, Ir)
Ryan, R.R.; Swanson, B.I.; Inorganic Chemistry 13 (1974) 1681–1684; doi:

data_4343584
_publ_section_title
;
 Bonding in Trivalent Transition Metal Cyanides. Crystal Structures of Cs2
 Li M (C N)6 (M = Cr, Ir)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1681
_journal_page_last               1684
_journal_volume                  13
_journal_year                    1974
_chemical_formula_sum            'C6 Cs2 Ir Li N6'
_chemical_name_systematic        'Cs2 Li Ir (C N)6'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.72
_cell_length_b                   10.72
_cell_length_c                   10.72
_cell_volume                     1231.925
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Ryan_INOCAJ_1974_1321.cif
_cod_data_source_block           C6Cs2Ir1Li1N6
_cod_original_formula_sum        'C6 Cs2 Ir1 Li1 N6'
_cod_database_code               4343584
Crystal growth, crystal structure, and magnetic properties of a new lithium cobalt diphosphate
Sanz, F.; Parada, C.; Ruiz-Valero, C.; Chemistry of Materials (1,1989-) 12 (2000) 671–676; doi:

data_4002266
_publ_section_title
;
 Crystal growth, crystal structure, and magnetic properties of a new
 lithium cobalt diphosphate
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              671
_journal_page_last               676
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Co5.06 Li5.88 O28 P8'
_chemical_name_systematic        'Li5.88 Co5.06 (P2 O7)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.894
_cell_angle_beta                 90.247
_cell_angle_gamma                92.782
_cell_formula_units_Z            1
_cell_length_a                   6.3009
_cell_length_b                   8.413
_cell_length_c                   9.937
_cell_volume                     500.581
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Sanz_CMATEX_2000_1057.cif
_cod_data_source_block           Co5.06Li5.88O28P8
_cod_database_code               4002266
Zn3 In2 O6 - crystallographic and electronic structure
Schinzer, C.; Matar, S.F.; Heyd, F.; Journal of Materials Chemistry 9 (1999) 1569–1573; doi:

data_7221075
_publ_section_title
;
 Zn3 In2 O6 - crystallographic and electronic structure
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1569
_journal_page_last               1573
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'In2 O6 Zn3'
_chemical_name_systematic        'Zn3 In2 O6'
_space_group_IT_number           166
_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                   3.3534
_cell_length_b                   3.3534
_cell_length_c                   42.51
_cell_volume                     413.992
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Schinzer_JMACEP_1999_130.cif
_cod_data_source_block           In2O6Zn3
_cod_original_cell_volume        413.9925
_cod_database_code               7221075
Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite and phosphite ligands: crystal structures of [Ce (H2 P O2)3 (H2 O)], [Dy (H2 P O2)3] and [Pr (H2 P O2) (H P O3) (H2 O)] . (H2 O)
Seddon, J.A.; Jackson, A.R.W.; Kresinski, R.A.; Platt, A.W.G.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1999 (1999) 2189–2196; doi:

data_4031174
_publ_section_title
;
 Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite
 and phosphite ligands: crystal structures of [Ce (H2 P O2)3 (H2 O)], [Dy
 (H2 P O2)3] and [Pr (H2 P O2) (H P O3) (H2 O)] . (H2 O)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2189
_journal_page_last               2196
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'Ce H8 O7 P3'
_chemical_name_systematic        'Ce (H2 P O2)3 (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.643
_cell_angle_beta                 98.101
_cell_angle_gamma                104.97
_cell_formula_units_Z            2
_cell_length_a                   7.1729
_cell_length_b                   7.9827
_cell_length_c                   8.871
_cell_volume                     443.824
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Seddon_JCDTBI_1999_70.cif
_cod_data_source_block           H8Ce1O7P3
_cod_original_cell_volume        443.8244
_cod_original_formula_sum        'H8 Ce1 O7 P3'
_cod_database_code               4031174
Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O)
Seddon, J.A.; Platt, A.W.G.; Kresinski, R.A.; Jackson, A.R.W.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1999 (1999) 2189–2196; doi:

data_4031175
_publ_section_title
;
 Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite
 and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy
 (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2189
_journal_page_last               2196
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'Dy H6 O6 P3'
_chemical_name_systematic        'Dy (H2 P O2)3'
_space_group_IT_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                 122.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.368
_cell_length_b                   5.734
_cell_length_c                   12.123
_cell_volume                     843.940
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Seddon_JCDTBI_1999_71.cif
_cod_data_source_block           H6Dy1O6P3
_cod_original_cell_volume        843.9399
_cod_original_formula_sum        'H6 Dy1 O6 P3'
_cod_database_code               4031175
Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O)
Seddon, J.A.; Platt, A.W.G.; Jackson, A.R.W.; Kresinski, R.A.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1999 (1999) 2189–2196; doi:

data_4031176
_publ_section_title
;
 Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite
 and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy
 (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2189
_journal_page_last               2196
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'H7 O7 P2 Pr'
_chemical_name_systematic        '(Pr (H2 P O2) (H P O3) (H2 O)) (H2 O)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6558
_cell_length_b                   7.1539
_cell_length_c                   16.5506
_cell_volume                     788.056
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Seddon_JCDTBI_1999_72.cif
_cod_data_source_block           H7O7P2Pr1
_cod_original_cell_volume        788.0556
_cod_original_formula_sum        'H7 O7 P2 Pr1'
_cod_database_code               4031176
Preparation and crystal structure of a new Sr containing sialon phase Sr2 Alx Si12-x N16-x O2+x (x=2)
Shen, Z.-J.; Esmaeilzadeh, S.; Grins, J.; Ehrenberg, H.; Journal of Materials Chemistry 9 (1999) 1019–1022; doi:

data_7221076
_publ_section_title
;
 Preparation and crystal structure of a new Sr containing sialon phase Sr2
 Alx Si12-x N16-x O2+x (x=2)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1019
_journal_page_last               1022
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Al2 N14 O4 Si10 Sr2'
_chemical_name_systematic        'Sr2 (Al2 Si10 N14 O4)'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.2788
_cell_length_b                   9.5757
_cell_length_c                   4.9158
_cell_volume                     389.702
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Shen_JMACEP_1999_123.cif
_cod_data_source_block           Al2N14O4Si10Sr2
_cod_original_cell_volume        389.7015
_cod_database_code               7221076
Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn) (D2 O)6) (S O4)2
Simmons, C.; Hitchman, M.A.; Astley, T.; Stratemeier, H.; Inorganic Chemistry 39 (2000) 4651–4653; doi:

data_4343585
_publ_section_title
;
 Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn)
 (D2 O)6) (S O4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4651
_journal_page_last               4653
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Cu0.995 D20 N2 O14 S2 Zn0.005'
_chemical_name_systematic        '(N D4)2 (Cu0.995 Zn0.005 (D2 O)6) (S O4)2'
_space_group_IT_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                 106.36
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.281
_cell_length_b                   12.4999
_cell_length_c                   6.2
_cell_volume                     690.149
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Simmons_INOCAJ_2000_1125.cif
_cod_data_source_block           D20Cu0.995N2O14S2Zn0.005
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'D20 Cu0.995 N2 O14 S2 Zn0.005'
_cod_database_code               4343585
Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn) (D2 O)6) (S O4)2
Simmons, C.; Hitchman, M.A.; Stratemeier, H.; Astley, T.; Inorganic Chemistry 39 (2000) 4651–4653; doi:

data_4343586
_publ_section_title
;
 Effect of Zn substitution on the crystal structure of (N D4)2 (Cu (Zn)
 (D2 O)6) (S O4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4651
_journal_page_last               4653
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Cu0.966 D20 N2 O14 S2 Zn0.034'
_chemical_name_systematic        '(N D4)2 (Cu0.966 Zn0.034 (D2 O)6) (S O4)2'
_space_group_IT_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                 106.22
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.208
_cell_length_b                   12.4027
_cell_length_c                   6.274
_cell_volume                     687.996
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Simmons_INOCAJ_2000_1127.cif
_cod_data_source_block           D20Cu0.966N2O14S2Zn0.034
_cod_original_cell_volume        687.9963
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'D20 Cu0.966 N2 O14 S2 Zn0.034'
_cod_database_code               4343586
Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6) (S O4)2
Simmons, C.J.; Stratemeier, H.; Hitchman, M.A.; Inorganic Chemistry 39 (2000) 6124–6126; doi:

data_4343587
_publ_section_title
;
 Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6)
 (S O4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6124
_journal_page_last               6126
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'H20 N2 O14 S2 Zn'
_chemical_name_systematic        '(N H4)2 (Zn (H2 O)6) (S O4)2'
_space_group_IT_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                 106.86
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.236
_cell_length_b                   12.5122
_cell_length_c                   6.246
_cell_volume                     690.779
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Simmons_INOCAJ_2000_1135.cif
_cod_data_source_block           H20N2O14S2Zn1
_cod_original_cell_volume        690.7787
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H20 N2 O14 S2 Zn1'
_cod_database_code               4343587
Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6) (S O4)2
Simmons, C.J.; Hitchman, M.A.; Stratemeier, H.; Inorganic Chemistry 39 (2000) 6124–6126; doi:

data_4343588
_publ_section_title
;
 Influence of deuteration on the crystal structure of (N H4)2 (Zn (H2 O)6)
 (S O4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6124
_journal_page_last               6126
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'D20 N2 O14 S2 Zn'
_chemical_name_systematic        '(N D4)2 (Zn (D2 O)6) (S O4)2'
_space_group_IT_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                 106.918
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1434
_cell_length_b                   12.3689
_cell_length_c                   6.2828
_cell_volume                     679.795
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Simmons_INOCAJ_2000_1139.cif
_cod_data_source_block           D20N2O14S2Zn1
_cod_original_cell_volume        679.7949
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'D20 N2 O14 S2 Zn1'
_cod_database_code               4343588
Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3
Sinclair, D.C.; Skakle, J.M.S.; Morrison, F.D.; Beales, T.P.; Smith, R.I.; Journal of Materials Chemistry 9 (1999) 1327–1331; doi:

data_7221077
_publ_section_title
;
 Structure and electrical properties of oxygen-deficient hexagonal Ba Ti
 O3
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1327
_journal_page_last               1331
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Ba O2.916 Ti'
_chemical_name_systematic        'Ba Ti O2.916'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.73116
_cell_length_b                   5.73116
_cell_length_c                   13.99109
_cell_volume                     397.985
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Sinclair_JMACEP_1999_124.cif
_cod_data_source_block           Ba1O2.916Ti1
_cod_original_cell_volume        397.9855
_cod_original_formula_sum        'Ba1 O2.916 Ti1'
_cod_database_code               7221077
Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3
Sinclair, D.C.; Skakle, J.M.S.; Beales, T.P.; Morrison, F.D.; Smith, R.I.; Journal of Materials Chemistry 9 (1999) 1327–1331; doi:

data_7221078
_publ_section_title
;
 Structure and electrical properties of oxygen-deficient hexagonal Ba Ti
 O3
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1327
_journal_page_last               1331
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Ba O2.88 Ti'
_chemical_name_systematic        'Ba Ti O2.88'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.73658
_cell_length_b                   5.73658
_cell_length_c                   14.01046
_cell_volume                     399.291
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Sinclair_JMACEP_1999_125.cif
_cod_data_source_block           Ba1O2.88Ti1
_cod_original_cell_volume        399.2906
_cod_original_formula_sum        'Ba1 O2.88 Ti1'
_cod_database_code               7221078