LMucko/crystallography-open-database huggingface dataset:
Synthesis and structure of β-Ca~3~Ga~2~N~4~, a ternary nitride with two interpenetrating three dimensional nets
Clarke, S. J.; DiSalvo, F. J.; Journal of Alloys and Compounds 274 (1998) 118–121; doi:10.1016/S0925-8388(98)00533-7

data_1005049
_publ_section_title
;
 Synthesis and structure of \b-Ca~3~Ga~2~N~4~, a ternary nitride with
 two interpenetrating three dimensional nets
;
_journal_coden_ASTM              JALCEU
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              118
_journal_page_last               121
_journal_paper_doi               10.1016/S0925-8388(98)00533-7
_journal_volume                  274
_journal_year                    1998
_chemical_formula_structural     'Ca3 Ga2 N4'
_chemical_formula_sum            'Ca3 Ga2 N4'
_chemical_name_systematic        'Tricalcium digallium tetranitride - \b'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.210(2)
_cell_length_b                   11.210(2)
_cell_length_c                   15.914(2)
_cell_volume                     1999.8
_refine_ls_R_factor_all          0.039
_cod_original_sg_symbol_H-M      'I 41/a c d Z'
_cod_database_code               1005049
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8) (Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
Niewa, R; DiSalvo, F J; Journal of Alloys Compd. 279 (1998) 153–160; doi:10.1016/S0925-8388(98)00657-4

data_1005050
_publ_section_title
;
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)
(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              153
_journal_page_last               160
_journal_paper_doi               10.1016/S0925-8388(98)00657-4
_journal_volume                  279
_journal_year                    1998
_chemical_formula_structural     'Ba (Cu N)'
_chemical_formula_sum            'Ba Cu N'
_chemical_name_systematic        'Barium nitrocuprate(I)'
_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                 102.960(2)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   14.462(2)
_cell_length_b                   5.5700(8)
_cell_length_c                   9.478(1)
_cell_volume                     744.0
_refine_ls_R_factor_all          0.038
_cod_database_code               1005050
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
Niewa, R; DiSalvo, F J; Journal of Alloys Compd. 279 (1998) 153–160; doi:10.1016/S0925-8388(98)00657-4

data_1005051
_publ_section_title
;
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu
N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              153
_journal_page_last               160
_journal_paper_doi               10.1016/S0925-8388(98)00657-4
_journal_volume                  279
_journal_year                    1998
_chemical_formula_structural     'Ba16 (Cu N)8 (Cu2 N3) (Cu3 N4)'
_chemical_formula_sum            'Ba16 Cu13 N15'
_chemical_name_systematic        'Barium copper nitride (16/13/15)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.115(2)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.5611(4)
_cell_length_b                   7.2731(2)
_cell_length_c                   13.5225(5)
_cell_volume                     938.9
_refine_ls_R_factor_all          0.072
_cod_database_code               1005051
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
Niewa, R; DiSalvo, F J; Journal of Alloys Compd. 279 (1998) 153–160; doi:10.1016/S0925-8388(98)00657-4

data_1005052
_publ_section_title
;
Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu
N)8)(Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              153
_journal_page_last               160
_journal_paper_doi               10.1016/S0925-8388(98)00657-4
_journal_volume                  279
_journal_year                    1998
_chemical_formula_structural     'Ca4 Ba (Cu N2)2'
_chemical_formula_sum            'Ba Ca4 Cu2 N4'
_chemical_name_systematic        'Tetracalcium barium bis(dinitrocuprate(I))'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2366(4)
_cell_length_b                   8.2366(4)
_cell_length_c                   12.5731(6)
_cell_volume                     853.0
_refine_ls_R_factor_all          0.025
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1005052
An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2
Reckeweg, O; DiSalvo, F J; Meyer, H-J; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1408–1410; doi:10.1002/(SICI)1521-3749(199909)625:9<1408::AID-ZAAC1408>3.0.CO;2-O

data_1005053
_publ_section_title
;
An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1408
_journal_page_last               1410
_journal_paper_doi
10.1002/(SICI)1521-3749(199909)625:9<1408::AID-ZAAC1408>3.0.CO;2-O
_journal_volume                  625
_journal_year                    1999
_chemical_formula_structural     'Ca9 Cl8 (B C2)2'
_chemical_formula_sum            'C4 B2 Ca9 Cl8'
_chemical_name_systematic
;
Nonacalcium octachloride bis(dicarbidoborate)
;
_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                   11.6291(8)
_cell_length_b                   13.4159(10)
_cell_length_c                   12.0862(9)
_cell_volume                     1885.6
_refine_ls_R_factor_all          0.0707
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'B2 Ca9 Cl8'
 to 'C4 B2 Ca9 Cl8'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1005053
The structural distorsion of the anti-perovskite nitride Ca3 As N
Chern, M Y; DiSalvo, F J; Parise, J B; Goldstone, J A; Journal of Solid State Chemistry 96 (1992) 426–435; doi:10.1016/S0022-4596(05)80277-4

data_1005054
_publ_section_title
;
The structural distorsion of the anti-perovskite nitride Ca3 As N
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              426
_journal_page_last               435
_journal_paper_doi               10.1016/S0022-4596(05)80277-4
_journal_volume                  96
_journal_year                    1992
_chemical_formula_structural     'Ca3 As N'
_chemical_formula_sum            'As Ca3 N'
_chemical_name_systematic        'Tricalcium arsenide nitride'
_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                   6.7301(2)
_cell_length_b                   6.7246(2)
_cell_length_c                   9.5402(2)
_cell_volume                     431.8
_refine_ls_R_factor_all          0.046
_cod_database_code               1005054
Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14
Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A; Journal of Solid State Chemistry 131 (1997) 399–404; doi:10.1006/jssc.1997.7421

data_1005055
_publ_section_title
;
Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg
Ge2 S14, and the related compound La6 Mg Si2 S14
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               404
_journal_paper_doi               10.1006/jssc.1997.7421
_journal_volume                  131
_journal_year                    1997
_chemical_formula_structural     'La6 (Mg Ge2 S14)'
_chemical_formula_sum            'Ge2 La6 Mg S14'
_chemical_name_systematic        'Hexalanthanum magnesium digermanium sulfide'
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.367(1)
_cell_length_b                   10.367(1)
_cell_length_c                   5.814(1)
_cell_volume                     541.1
_refine_ls_R_factor_all          0.018
_cod_database_code               1005055
Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14
Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A; Journal of Solid State Chemistry 131 (1997) 399–404; doi:10.1006/jssc.1997.7421

data_1005056
_publ_section_title
;
Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg
Ge2 S14, and the related compound La6 Mg Si2 S14
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               404
_journal_paper_doi               10.1006/jssc.1997.7421
_journal_volume                  131
_journal_year                    1997
_chemical_formula_structural     'La6 (Mg Si2 S14)'
_chemical_formula_sum            'La6 Mg S14 Si2'
_chemical_name_systematic        'Hexalanthanum magnesium disilicon sulfide'
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.363(2)
_cell_length_b                   10.363(2)
_cell_length_c                   5.742(1)
_cell_volume                     534.0
_refine_ls_R_factor_all          0.022
_cod_database_code               1005056
Synthesis and characterization of a new ternary nitride, Ca3 V N3
Vennos, D A; DiSalvo, F J; Journal of Solid State Chemistry 98 (1992) 318–322; doi:10.1016/S0022-4596(05)80240-3

data_1005057
_publ_section_title
;
Synthesis and characterization of a new ternary nitride, Ca3 V N3
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              318
_journal_page_last               322
_journal_paper_doi               10.1016/S0022-4596(05)80240-3
_journal_volume                  98
_journal_year                    1992
_chemical_formula_structural     'Ca3 V N3'
_chemical_formula_sum            'Ca3 N3 V'
_chemical_name_systematic        'Calcium vanadium nitride (3/1/3)'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 78.88(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.717(2)
_cell_length_b                   5.064(2)
_cell_length_c                   6.720(3)
_cell_volume                     224.3
_exptl_crystal_density_meas      3.15
_refine_ls_R_factor_all          0.032
_cod_database_code               1005057
Unusual Bonding in ternary nitrides: Preparation, structure and properties of Ce2 Mn N3
Niewa, R; Vajenine, G V; DiSalvo, F J; Haihua, Luo; Yelon, W B; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 63–74; doi:

data_1005058
_publ_section_title
;
Unusual Bonding in ternary nitrides: Preparation, structure and
properties of Ce2 Mn N3
;
_journal_coden_ASTM              ZNBSEN
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              63
_journal_page_last               74
_journal_volume                  53
_journal_year                    1998
_chemical_formula_structural     'Ce2 Mn N3'
_chemical_formula_sum            'Ce2 Mn N3'
_chemical_name_systematic        'Dicerium manganese(III) nitride'
_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                   3.74994(6)
_cell_length_b                   3.44450(6)
_cell_length_c                   12.4601(2)
_cell_volume                     160.9
_refine_ls_R_factor_all          0.0512
_cod_database_code               1005058
Structure and Properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Mixed Valence Oxides with Structurally Equivalent Molybdenum Atoms
Torardi, C C; Fecketter, C; McCarroll, W H; DiSalvo, F J; Journal of Solid State Chemistry 60 (1985) 332–342; doi:10.1016/0022-4596(85)90284-1

data_1005059
_publ_section_title
;
Structure and Properties of Y~5~Mo~2~O~12~ and Gd~5~Mo~2~O~12~: Mixed
Valence Oxides with Structurally Equivalent Molybdenum Atoms
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              332
_journal_page_last               342
_journal_paper_doi               10.1016/0022-4596(85)90284-1
_journal_volume                  60
_journal_year                    1985
_chemical_formula_structural     'Y5 Mo2 O12'
_chemical_formula_sum            'Mo2 O12 Y5'
_chemical_name_systematic        'Pentayttrium dimolybdenum dodecaoxide'
_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                 108.034(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.2376(7)
_cell_length_b                   5.7177(8)
_cell_length_c                   7.4835(5)
_cell_volume                     497.9
_refine_ls_R_factor_all          0.029
_cod_database_code               1005059
_cod_duplicate_entry 1005000
Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~
Obradors, X; Solans, X; Collomb, A; Samaras, D; Rodriguez, J; Pernet, M; Font-Altaba, M; Journal of Solid State Chemistry 72 (1988) 218–224; doi:10.1016/0022-4596(88)90025-4

data_1006000
_publ_section_title
;
Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              218
_journal_page_last               224
_journal_paper_doi               10.1016/0022-4596(88)90025-4
_journal_volume                  72
_journal_year                    1988
_chemical_formula_structural     'Sr Fe12 O19'
_chemical_formula_sum            'Fe12 O19 Sr'
_chemical_name_systematic        'Strontium dodecairon(III) oxide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   5.8844(6)
_cell_length_b                   5.8844(6)
_cell_length_c                   23.050(3)
_cell_volume                     691.2
_refine_ls_R_factor_all          0.022
_cod_database_code               1006000
Ba~2~ (Pr^4+^)~.3~ (Pr^3+^)~.7~ (Cu^3+^)~.7~ (Cu^2+^)~2.3~ O~7~: Crystal growth, structure and magnetic properties.
Moran, E; Amador, U; Barahona, M; Alario-Franco, M A; Vegas, A; Rodriguez-Carvajal, J; Physica C (Amsterdam) (152,1988-) 153 (1988) 423–424; doi:

data_1006001
_publ_section_title
;
Ba~2~ (Pr^4+^)~.3~ (Pr^3+^)~.7~ (Cu^3+^)~.7~ (Cu^2+^)~2.3~ O~7~:
Crystal growth, structure and magnetic properties.
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              423
_journal_page_last               424
_journal_volume                  153
_journal_year                    1988
_chemical_formula_structural     'Ba2 Pr Cu3 O7'
_chemical_formula_sum            'Ba2 Cu3 O7 Pr'
_chemical_name_systematic        'Dibarium praseodymium(IV) tricopper oxide'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8918(2)
_cell_length_b                   3.8918(2)
_cell_length_c                   11.6484(8)
_cell_volume                     176.4
_refine_ls_R_factor_all          0.0424
_cod_database_code               1006001
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution
Sandiumenge, F; Gali, S; Rodriguez, J; Materials Research Bulletin 23 (1988) 685–692; doi:10.1016/0025-5408(88)90033-5

data_1006002
_publ_section_title
;
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~
O~19~ solid solution
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              685
_journal_page_last               692
_journal_paper_doi               10.1016/0025-5408(88)90033-5
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Ba Fe9.82 Al2.18 O19'
_chemical_formula_sum            'Al2.18 Ba Fe9.82 O19'
_chemical_name_systematic        'Barium iron(III) aluminate *'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   5.8298(2)
_cell_length_b                   5.8298(2)
_cell_length_c                   22.859(1)
_cell_volume                     672.8
_refine_ls_R_factor_all          0.0785
_cod_database_code               1006002
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution
Sandiumenge, F; Gali, S; Rodriguez, J; Materials Research Bulletin 23 (1988) 685–692; doi:10.1016/0025-5408(88)90033-5

data_1006003
_publ_section_title
;
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~
O~19~ solid solution
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              685
_journal_page_last               692
_journal_paper_doi               10.1016/0025-5408(88)90033-5
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Ba Fe7.95 Al4.05 O19'
_chemical_formula_sum            'Al4.05 Ba Fe7.95 O19'
_chemical_name_systematic        'Barium iron(III) aluminate *'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   5.7937(6)
_cell_length_b                   5.7937(6)
_cell_length_c                   22.763(1)
_cell_volume                     661.7
_refine_ls_R_factor_all          0.069
_cod_database_code               1006003
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~ O~19~ solid solution
Sandiumenge, F; Gali, S; Rodriguez, J; Materials Research Bulletin 23 (1988) 685–692; doi:10.1016/0025-5408(88)90033-5

data_1006004
_publ_section_title
;
X-ray profile analysis of cation distribution in Sr Al~x~ Fe~12-x~
O~19~ solid solution
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              685
_journal_page_last               692
_journal_paper_doi               10.1016/0025-5408(88)90033-5
_journal_volume                  23
_journal_year                    1988
_chemical_formula_structural     'Ba Fe5.64 Al6.36 O19'
_chemical_formula_sum            'Al6.36 Ba Fe5.64 O19'
_chemical_name_systematic        'Barium iron(III) aluminate *'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   5.7473(5)
_cell_length_b                   5.7473(5)
_cell_length_c                   22.585(1)
_cell_volume                     646.1
_refine_ls_R_factor_all          0.0753
_cod_database_code               1006004