LMucko/crystallography-open-database huggingface dataset:
A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction
Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P; Solid State Communications 66 (1988) 1117–1125; doi:10.1016/0038-1098(88)90335-3

data_1008422
_publ_section_title
;
A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~
Cu~3~ O~7~ by high resolution neutron powder diffraction
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              1117
_journal_page_last               1125
_journal_paper_doi               10.1016/0038-1098(88)90335-3
_journal_volume                  66
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu3 O6.86'
_chemical_formula_sum            'Ba2 Cu3 O6.86 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.86)'
_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                   3.8142(1)
_cell_length_b                   3.8807(1)
_cell_length_c                   11.6527(3)
_cell_volume                     172.5
_refine_ls_R_factor_all          0.0312
_cod_database_code               1008422
A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~ Cu~3~ O~7~ by high resolution neutron powder diffraction
Francois, M; Junod, A; Yvon, K; Hewat, A W; Capponi, J J; Strobel, P; Marezio, M; Fischer, P; Solid State Communications 66 (1988) 1117–1125; doi:10.1016/0038-1098(88)90335-3

data_1008423
_publ_section_title
;
A study of the Cu-O chains in the high T~c~ superconductor Y Ba~2~
Cu~3~ O~7~ by high resolution neutron powder diffraction
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              1117
_journal_page_last               1125
_journal_paper_doi               10.1016/0038-1098(88)90335-3
_journal_volume                  66
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu3 O6.86'
_chemical_formula_sum            'Ba2 Cu3 O6.86 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.86)'
_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                   3.8180(1)
_cell_length_b                   3.8835(1)
_cell_length_c                   11.6726(3)
_cell_volume                     173.1
_refine_ls_R_factor_all          0.0348
_cod_database_code               1008423
Magnetic frustration and lattice dimensionality in Sr Cr~8~ Ga~4~ O~19~
Obradors, X; Labarta, A; Isalgue, A; Tejada, J; Rodriguez, J; Pernet, M; Solid State Communications 65 (1988) 189–192; doi:10.1016/0038-1098(88)90885-X

data_1008424
_publ_section_title
;
Magnetic frustration and lattice dimensionality in Sr Cr~8~ Ga~4~ O~19~
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              189
_journal_page_last               192
_journal_paper_doi               10.1016/0038-1098(88)90885-X
_journal_volume                  65
_journal_year                    1988
_chemical_formula_structural     'Sr Cr7.87 Ga4.13 O19'
_chemical_formula_sum            'Cr7.87 Ga4.13 O19 Sr'
_chemical_name_systematic
;
Strontium chromium gallium oxide (1/7.9/4.1/19)
;
_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                   5.7993(1)
_cell_length_b                   5.7993(1)
_cell_length_c                   22.6584(3)
_cell_volume                     660.0
_refine_ls_R_factor_all          0.032
_cod_duplicate_entry             1006009
_cod_database_code               1008424
A re-investigation of the crystal structure of La~2~ Ni O~4~ Non stoichiometry and "La O" layers
Choisnet, J; Bassat, J M; Pilliere, H; Odier, P; Leblanc, M; Solid State Communications 66 (1988) 1245–1249; doi:10.1016/0038-1098(88)90044-0

data_1008425
_publ_section_title
;
A re-investigation of the crystal structure of La~2~ Ni O~4~ Non
stoichiometry and "La O" layers
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              1245
_journal_page_last               1249
_journal_paper_doi               10.1016/0038-1098(88)90044-0
_journal_volume                  66
_journal_year                    1988
_chemical_formula_structural     'La1.9 Ni O3.93'
_chemical_formula_sum            'La1.9 Ni O3.93'
_chemical_name_systematic        'Lanthanum nickel oxide (1.9/1/3.9)'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.869(1)
_cell_length_b                   3.869(1)
_cell_length_c                   12.664(3)
_cell_volume                     189.6
_refine_ls_R_factor_all          0.044
_cod_duplicate_entry             1000250
_cod_database_code               1008425
Neutron and electron diffraction study of Y Ba~2~ Cu2~2~ CU1~.77~ Fe~.23~ O~7.13~
Bordet, P; Hodeau, J L; Strobel, P; Marezio, M; Santoro, A; Solid State Communications 66 (1988) 435–439; doi:10.1016/0038-1098(88)90872-1

data_1008426
_publ_section_title
;
Neutron and electron diffraction study of Y Ba~2~ Cu2~2~ CU1~.77~
Fe~.23~ O~7.13~
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              435
_journal_page_last               439
_journal_paper_doi               10.1016/0038-1098(88)90872-1
_journal_volume                  66
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu2.77 Fe.23 O7.13'
_chemical_formula_sum            'Ba2 Cu2.77 Fe0.23 O7.13 Y'
_chemical_name_systematic
;
Yttrium barium copper iron oxide (1/2/2.8/.2/7.1)
;
_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                   3.8674(0)
_cell_length_b                   3.8674(0)
_cell_length_c                   11.6687(2)
_cell_volume                     174.5
_refine_ls_R_factor_all          0.0285
_cod_original_formula_sum        'Ba2 Cu2.77 Fe.23 O7.13 Y'
_cod_database_code               1008426
Structure cristalline de Cs Ti O (As O~4~)
Protas, J; Marnier, G; Boulanger, B; Menaert, B; Acta Crystallographica C (39,1983-) 45 (1989) 1123–1125; doi:

data_1008427
_publ_section_title              'Structure cristalline de Cs Ti O (As O~4~)'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1123
_journal_page_last               1125
_journal_volume                  45
_journal_year                    1989
_chemical_formula_structural     'Cs Ti O (As O4)'
_chemical_formula_sum            'As Cs O5 Ti'
_chemical_name_systematic        'Caesium titanium oxide arsenate'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.486(2)
_cell_length_b                   10.688(1)
_cell_length_c                   6.8616(7)
_cell_volume                     989.0
_refine_ls_R_factor_all          0.027
_cod_database_code               1008427
Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous potassium cyclo-hexaphosphate
Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 45 (1989) 1273–1275; doi:

data_1008428
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous
potassium cyclo-hexaphosphate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1273
_journal_page_last               1275
_journal_volume                  45
_journal_year                    1989
_chemical_formula_structural     'K6 (P6 O18)'
_chemical_formula_sum            'K6 O18 P6'
_chemical_name_systematic        'Potassium cyclo-hexaphosphate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.753(6)
_cell_length_b                   15.753(6)
_cell_length_c                   15.753(6)
_cell_volume                     3909.2
_refine_ls_R_factor_all          0.023
_cod_database_code               1008428
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~
Eisenmann, B; Klein, J; Somer, M; Angewandte Chemie (German Edition) 102 (1990) 92–93; doi:10.1002/ange.19901020127

data_1008429
_publ_section_title
;
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~
Ge P~3~ und Cs~5~ Ge As~3~
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              92
_journal_page_last               93
_journal_paper_doi               10.1002/ange.19901020127
_journal_volume                  102
_journal_year                    1990
_chemical_formula_structural     'Cs5 (Si P3)'
_chemical_formula_sum            'Cs5 P3 Si'
_chemical_name_systematic        'Caesium triphosphidosilicate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.144(4)
_cell_length_b                   5.995(2)
_cell_length_c                   15.500(4)
_cell_volume                     1314.3
_refine_ls_R_factor_all          0.0569
_cod_database_code               1008429
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~
Eisenmann, B; Klein, J; Somer, M; Angewandte Chemie (German Edition) 102 (1990) 92–93; doi:10.1002/ange.19901020127

data_1008430
_publ_section_title
;
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~
Ge P~3~ und Cs~5~ Ge As~3~
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              92
_journal_page_last               93
_journal_paper_doi               10.1002/ange.19901020127
_journal_volume                  102
_journal_year                    1990
_chemical_formula_structural     'Cs5 (Si As3)'
_chemical_formula_sum            'As3 Cs5 Si'
_chemical_name_systematic        'Caesium triarsenidosilicate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.467(4)
_cell_length_b                   6.043(2)
_cell_length_c                   15.820(4)
_cell_volume                     1383.0
_refine_ls_R_factor_all          0.0539
_cod_database_code               1008430
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~
Eisenmann, B; Klein, J; Somer, M; Angewandte Chemie (German Edition) 102 (1990) 92–93; doi:10.1002/ange.19901020127

data_1008431
_publ_section_title
;
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~
Ge P~3~ und Cs~5~ Ge As~3~
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              92
_journal_page_last               93
_journal_paper_doi               10.1002/ange.19901020127
_journal_volume                  102
_journal_year                    1990
_chemical_formula_structural     'Cs5 (Ge P3)'
_chemical_formula_sum            'Cs5 Ge P3'
_chemical_name_systematic        'Caesium triphosphidogermanate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.311(4)
_cell_length_b                   5.994(2)
_cell_length_c                   15.618(4)
_cell_volume                     1339.7
_refine_ls_R_factor_all          0.0829
_cod_database_code               1008431
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~
Eisenmann, B; Klein, J; Somer, M; Angewandte Chemie (German Edition) 102 (1990) 92–93; doi:10.1002/ange.19901020127

data_1008432
_publ_section_title
;
C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~
Ge P~3~ und Cs~5~ Ge As~3~
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              92
_journal_page_last               93
_journal_paper_doi               10.1002/ange.19901020127
_journal_volume                  102
_journal_year                    1990
_chemical_formula_structural     'Cs5 (Ge As3)'
_chemical_formula_sum            'As3 Cs5 Ge'
_chemical_name_systematic        'Caesium triarsenidogermanate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.615(4)
_cell_length_b                   6.045(2)
_cell_length_c                   15.964(4)
_cell_volume                     1410.4
_refine_ls_R_factor_all          0.0765
_cod_database_code               1008432
Crystal chemistry of cyclo-hexaphosphates. III. Structure of dilithium dimanganese cyclo-hexaphosphate decahydrate
Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 45 (1989) 1856–1858; doi:

data_1008433
_publ_section_title
;
Crystal chemistry of cyclo-hexaphosphates. III. Structure of dilithium
dimanganese cyclo-hexaphosphate decahydrate
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1856
_journal_page_last               1858
_journal_volume                  45
_journal_year                    1989
_chemical_formula_structural     'Li2 Mn2 (P6 O18) (H2 O)10'
_chemical_formula_sum            'H20 Li2 Mn2 O28 P6'
_chemical_name_systematic
;
Dilithium dimanganese cyclo-hexaphosphate decahydrate
;
_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                118.31(5)
_cell_angle_beta                 110.62(5)
_cell_angle_gamma                86.27(5)
_cell_formula_units_Z            1
_cell_length_a                   7.286(5)
_cell_length_b                   9.761(7)
_cell_length_c                   10.026(6)
_cell_volume                     583.0
_refine_ls_R_factor_all          0.027
_cod_database_code               1008433
Cobalt Location in the Y-Type Hexagonal Ferrite : Ba Co Fe~6~ O~11~
Collomb, A; Hadj Farhat, M A; Joubert, J C; Materials Research Bulletin 24 (1989) 453–458; doi:10.1016/0025-5408(89)90027-5

data_1008434
_publ_section_title
;
Cobalt Location in the Y-Type Hexagonal Ferrite : Ba Co Fe~6~ O~11~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              453
_journal_page_last               458
_journal_paper_doi               10.1016/0025-5408(89)90027-5
_journal_volume                  24
_journal_year                    1989
_chemical_formula_structural     'Ba Co Fe6 O11'
_chemical_formula_sum            'Ba Co Fe6 O11'
_chemical_name_systematic        'Barium cobalt hexairon(III) oxide'
_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            6
_cell_length_a                   5.894(1)
_cell_length_b                   5.894(1)
_cell_length_c                   43.742(6)
_cell_volume                     1316.0
_refine_ls_R_factor_all          0.035
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008434
Tl~1-x~ Pr~x~ Sr~2-y~ Pr~y~ Cu O~5-$~-delta: First Member of the Family Tl A~2~ Ca~m-1~ Cu~m~ O~2m+ ~(A= Ba, Sr)
Bourgault, D; Martin, C; Michel, C; Hervieu, M; Provost, J; Raveau, B; Journal of Solid State Chemistry 78 (1989) 326–328; doi:10.1016/0022-4596(89)90117-5

data_1008435
_publ_section_title
;
Tl~1-x~ Pr~x~ Sr~2-y~ Pr~y~ Cu O~5-$~-delta: First Member of the Family
Tl A~2~ Ca~m-1~ Cu~m~ O~2m+ ~(A= Ba, Sr)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              326
_journal_page_last               328
_journal_paper_doi               10.1016/0022-4596(89)90117-5
_journal_volume                  78
_journal_year                    1989
_chemical_formula_structural     'Tl0.8 Pr0.6 Sr1.6 Cu O5'
_chemical_formula_sum            'Cu O5 Pr0.6 Sr1.6 Tl0.8'
_chemical_name_systematic
;
Thallium(III) praseodymium strontium copper oxide (.8/.6/1.6/1/5)
;
_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                   3.741
_cell_length_b                   3.741
_cell_length_c                   8.875
_cell_volume                     124.2
_refine_ls_R_factor_all          0.07
_cod_duplicate_entry             1001404
_cod_original_formula_sum        'Cu O5 Pr.6 Sr1.6 Tl.8'
_cod_database_code               1008435
Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)
Averbuch-Pouchot, M T; Journal of Solid State Chemistry 79 (1989) 296–299; doi:10.1016/0022-4596(89)90279-X

data_1008436
_publ_section_title
;
Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              296
_journal_page_last               299
_journal_paper_doi               10.1016/0022-4596(89)90279-X
_journal_volume                  79
_journal_year                    1989
_chemical_formula_structural     'Cs H ((Mo O2) (P2 O7))'
_chemical_formula_sum            'Cs H Mo O9 P2'
_chemical_name_systematic        'Caesium hydrogen molybdatodiphosphate'
_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                 100.10(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.670(5)
_cell_length_b                   14.231(10)
_cell_length_c                   6.265(5)
_cell_volume                     848.8
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'H Cs Mo O9 P2'
_cod_database_code               1008436
Synthese, structure cristalline,conductivite ionique, et proprietes magnetiques d'un nouveau ferrite de type alumine $+beta" Na~1.3~ K~.6~ Fe~10.1~ Zn~.9~ O~17~
Vincent, H; Bekka, A; Anne, M; Joubert, J C; Journal of Solid State Chemistry 81 (1989) 181–191; doi:10.1016/0022-4596(89)90005-4

data_1008437
_publ_section_title
;
Synthese, structure cristalline,conductivite ionique, et proprietes
magnetiques d'un nouveau ferrite de type alumine $+beta" Na~1.3~ K~.6~
Fe~10.1~ Zn~.9~ O~17~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               191
_journal_paper_doi               10.1016/0022-4596(89)90005-4
_journal_volume                  81
_journal_year                    1989
_chemical_formula_analytical     'Na1.3 K0.6 Fe10.1 Zn0.9 O17'
_chemical_formula_structural     'Na2.4 Fe10.99 O16.03'
_chemical_formula_sum            'Fe10.99 Na2.4 O16.03'
_chemical_name_systematic        'Sodium iron oxide (2.4/11/16)'
_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                   5.947(1)
_cell_length_b                   5.947(1)
_cell_length_c                   35.83(1)
_cell_volume                     1097.4
_refine_ls_R_factor_all          0.033
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008437