LMucko/crystallography-open-database huggingface dataset:
Ein Beitrag zur Kristallchemie dreiwertiger Seltenerdoxide zur Stabilisierung der monoklinen B-Form
Muschick, W; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 495–498; doi:

data_2002325
_publ_section_title
;
Ein Beitrag zur Kristallchemie dreiwertiger Seltenerdoxide zur
Stabilisierung der monoklinen B-Form
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              495
_journal_page_last               498
_journal_volume                  32
_journal_year                    1977
_chemical_formula_structural     '(Ca0.5 Tm0.5) Tm O2.75'
_chemical_formula_sum            'Ca0.5 O2.75 Tm1.5'
_chemical_name_systematic        'Calcium thulium oxide (0.5/1.5/2.8)'
_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                 92.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.502
_cell_length_b                   3.524
_cell_length_c                   5.845
_cell_volume                     133.8
_refine_ls_R_factor_all          0.12
_cod_original_formula_sum        'Ca.5 O2.75 Tm1.5'
_cod_database_code               2002325
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
Freund, H R; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1123–1124; doi:

data_2002326
_publ_section_title
;
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              1123
_journal_page_last               1124
_journal_volume                  32
_journal_year                    1977
_chemical_formula_structural     'Lu2 Cu2 O5'
_chemical_formula_sum            'Cu2 Lu2 O5'
_chemical_name_systematic        'Dilutetium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.35
_cell_length_b                   10.698
_cell_length_c                   3.405
_cell_volume                     449.9
_refine_ls_R_factor_all          0.086
_cod_database_code               2002326
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
Freund, H R; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1123–1124; doi:

data_2002327
_publ_section_title
;
Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              1123
_journal_page_last               1124
_journal_volume                  32
_journal_year                    1977
_chemical_formula_structural     'Sc2 Cu2 O5'
_chemical_formula_sum            'Cu2 O5 Sc2'
_chemical_name_systematic        'Discandium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.041
_cell_length_b                   10.452
_cell_length_c                   3.22
_cell_volume                     405.2
_refine_ls_R_factor_all          0.032
_cod_database_code               2002327
Praeparation und roentgenographische Untersuchung eines neuen Kupfer- Oxoaluminats: Cu2 Al4 O7
Meyer, H; Mueller-Buschbaum, Hk; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 112 (1981) 51–57; doi:

data_2002328
_publ_section_title
;
Praeparation und roentgenographische Untersuchung eines neuen Kupfer-
Oxoaluminats: Cu2 Al4 O7
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              51
_journal_page_last               57
_journal_volume                  112
_journal_year                    1981
_chemical_formula_structural     'Cu2 Al4 O7'
_chemical_formula_sum            'Al4 Cu2 O7'
_chemical_name_systematic        'Dicopper(I) tetraaluminium oxide'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.09
_cell_length_b                   8.09
_cell_length_c                   8.09
_cell_volume                     529.5
_refine_ls_R_factor_all          0.1
_cod_database_code               2002328
Ueber Erdalkalimetalloxogallate (VIII) Synthese und Aufbau eines neuen Calciumoxogallats Ca3 Ga4 O9
Schulze, A R; Mueller-Buschbaum, Hk; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 112 (1981) 149–156; doi:

data_2002329
_publ_section_title
;
Ueber Erdalkalimetalloxogallate (VIII) Synthese und Aufbau eines neuen
Calciumoxogallats Ca3 Ga4 O9
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              149
_journal_page_last               156
_journal_volume                  112
_journal_year                    1981
_chemical_formula_structural     'Ca3 Ga4 O9'
_chemical_formula_sum            'Ca3 Ga4 O9'
_chemical_name_systematic        'Tricalcium tetragallium oxide'
_space_group_IT_number           35
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_Hall  'C 2 -2'
_symmetry_space_group_name_H-M   'C m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   14.358
_cell_length_b                   16.825
_cell_length_c                   5.321
_cell_volume                     1285.4
_refine_ls_R_factor_all          0.062
_cod_database_code               2002329
Ein Beitrag zur Kristallchemie der Kobaltoxoniobate: Co Nb2 O6 mit Rutilstruktur
Lehmann, U; Mueller-Buschbaum, Hk; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 111 (1980) 1225–1227; doi:10.1007/BF00909680

data_2002330
_publ_section_title
;
Ein Beitrag zur Kristallchemie der Kobaltoxoniobate: Co Nb2 O6 mit
Rutilstruktur
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              1225
_journal_page_last               1227
_journal_paper_doi               10.1007/BF00909680
_journal_volume                  111
_journal_year                    1980
_chemical_formula_structural     'Co0.33 Nb0.67 O2'
_chemical_formula_sum            'Co0.33 Nb0.67 O2'
_chemical_name_systematic        'Cobalt niobium oxide (0.33/0.67/2)'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.726
_cell_length_b                   4.726
_cell_length_c                   3.054
_cell_volume                     68.2
_refine_ls_R_factor_all          0.066
_cod_original_formula_sum        'Co.33 Nb.67 O2'
_cod_database_code               2002330
_cod_duplicate_entry 2002294
Zur Kristallstruktur von Al4 Bi2 O9
Arpe, R; Mueller-Buschbaum, Hk; Journal of Inorganic and Nuclear Chemistry 39 (1977) 233–235; doi:10.1016/0022-1902(77)80005-5

data_2002331
_publ_section_title              'Zur Kristallstruktur von Al4 Bi2 O9'
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              233
_journal_page_last               235
_journal_paper_doi               10.1016/0022-1902(77)80005-5
_journal_volume                  39
_journal_year                    1977
_chemical_formula_structural     'Al4 Bi2 O9'
_chemical_formula_sum            'Al4 Bi2 O9'
_chemical_name_systematic        'Tetraaluminium dibismuth oxide'
_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                   7.722
_cell_length_b                   8.112
_cell_length_c                   5.703
_cell_volume                     357.2
_refine_ls_R_factor_all          0.047
_cod_database_code               2002331
Ein Beitrag zu Verbindungen vom Typ Mex Pt3 O4
Mueller-Buschbaum, Hk; Grande, B; Journal of Inorganic and Nuclear Chemistry 39 (1977) 1084–1085; doi:10.1016/0022-1902(77)80270-4

data_2002332
_publ_section_title
;
Ein Beitrag zu Verbindungen vom Typ Mex Pt3 O4
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1084
_journal_page_last               1085
_journal_paper_doi               10.1016/0022-1902(77)80270-4
_journal_volume                  39
_journal_year                    1977
_chemical_formula_structural     'Pt0.4 Pt3 O4'
_chemical_formula_sum            'O4 Pt3.4'
_chemical_name_systematic        'Platinum oxide (3.4/4)'
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.612
_cell_length_b                   5.612
_cell_length_c                   5.612
_cell_volume                     176.7
_refine_ls_R_factor_all          0.084
_cod_database_code               2002332
Die Struktur von Ba3 Yb4 O9
Krueger, J; Mueller-Buschbaum, Hk; Revue de Chimie Minerale 20 (1983) 456–461; doi:

data_2002333
_publ_section_title              'Die Struktur von Ba3 Yb4 O9'
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              456
_journal_page_last               461
_journal_volume                  20
_journal_year                    1983
_chemical_formula_structural     'Ba3 Yb4 O9'
_chemical_formula_sum            'Ba3 O9 Yb4'
_chemical_name_systematic        'Tribarium tetraytterbium oxide'
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.042
_cell_length_b                   6.042
_cell_length_c                   24.85899
_cell_volume                     785.9
_refine_ls_R_factor_all          0.083
_cod_original_sg_symbol_H-M      'R 3 H'
_cod_database_code               2002333
Ein neues Oxohalogenoferrat: Sr3 Fe2 O5 Cl2
Leib, W; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 518 (1984) 115–119; doi:10.1002/zaac.19845181111

data_2002334
_publ_section_title              'Ein neues Oxohalogenoferrat: Sr3 Fe2 O5 Cl2'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              115
_journal_page_last               119
_journal_paper_doi               10.1002/zaac.19845181111
_journal_volume                  518
_journal_year                    1984
_chemical_formula_structural     'Sr3 (Fe2 O5 Cl2)'
_chemical_formula_sum            'Cl2 Fe2 O5 Sr3'
_chemical_name_systematic        'Tristrontium pentaoxodichloroferrate(III)'
_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                   3.942(2)
_cell_length_b                   3.942(2)
_cell_length_c                   23.786(12)
_cell_volume                     369.6
_exptl_crystal_density_meas      4.79
_refine_ls_R_factor_all          0.07
_cod_database_code               2002334
Zur Struktur der Hochtemperaturform von Dy2 Ti O5
Tiedemann, P; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 520 (1985) 71–74; doi:10.1002/zaac.19855200110

data_2002335
_publ_section_title
;
Zur Struktur der Hochtemperaturform von Dy2 Ti O5
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              71
_journal_page_last               74
_journal_paper_doi               10.1002/zaac.19855200110
_journal_volume                  520
_journal_year                    1985
_chemical_formula_structural     'Dy2 Ti O5'
_chemical_formula_sum            'Dy2 O5 Ti'
_chemical_name_systematic        'Didysprosium titanium oxide'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   10.3189(15)
_cell_length_b                   10.3189(15)
_cell_length_c                   10.3189(15)
_cell_volume                     1098.8
_refine_ls_R_factor_all          0.052
_cod_database_code               2002335
Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite
Brandt, R; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 510 (1984) 163–168; doi:10.1002/zaac.19845100322

data_2002336
_publ_section_title
;
Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              163
_journal_page_last               168
_journal_paper_doi               10.1002/zaac.19845100322
_journal_volume                  510
_journal_year                    1984
_chemical_formula_structural     'La Mg Al11 O19'
_chemical_formula_sum            'Al11 La Mg O19'
_chemical_name_systematic
;
Lanthanum magnesium aluminium oxide (1/1/11/19)
;
_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                   5.592
_cell_length_b                   5.592
_cell_length_c                   21.965
_cell_volume                     594.8
_refine_ls_R_factor_all          0.063
_cod_database_code               2002336
Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite
Brandt, R; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 510 (1984) 163–168; doi:10.1002/zaac.19845100322

data_2002337
_publ_section_title
;
Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              163
_journal_page_last               168
_journal_paper_doi               10.1002/zaac.19845100322
_journal_volume                  510
_journal_year                    1984
_chemical_formula_structural     'Nd Mg Al11 O19'
_chemical_formula_sum            'Al11 Mg Nd O19'
_chemical_name_systematic
;
Neodymium magnesium aluminium oxide (1/1/11/19)
;
_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                   5.595
_cell_length_b                   5.595
_cell_length_c                   21.82999
_cell_volume                     591.8
_refine_ls_R_factor_all          0.086
_cod_database_code               2002337
Synthese und Struktur eines Hochtemperatur-Cobaltarsenats(V): H-Co3 (As O4)2
Jasper-Toennies, B; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 517 (1984) 161–166; doi:10.1002/zaac.19845171015

data_2002338
_publ_section_title
;
Synthese und Struktur eines Hochtemperatur-Cobaltarsenats(V): H-Co3 (As
O4)2
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              161
_journal_page_last               166
_journal_paper_doi               10.1002/zaac.19845171015
_journal_volume                  517
_journal_year                    1984
_chemical_formula_structural     'Co3 (As O4)2'
_chemical_formula_sum            'As2 Co3 O8'
_chemical_name_systematic        'Tricobalt arsenate(V) - HT'
_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                 90.73(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4574(6)
_cell_length_b                   8.5096(24)
_cell_length_c                   11.1867(10)
_cell_volume                     614.7
_refine_ls_R_factor_all          0.065
_cod_database_code               2002338
Eine kubische Hochtemperaturform von Ca Ta2 O6
Tiedemann, P; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 516 (1984) 201–206; doi:10.1002/zaac.19845160925

data_2002339
_publ_section_title
;
Eine kubische Hochtemperaturform von Ca Ta2 O6
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              201
_journal_page_last               206
_journal_paper_doi               10.1002/zaac.19845160925
_journal_volume                  516
_journal_year                    1984
_chemical_formula_structural     'Ca Ta2 O6'
_chemical_formula_sum            'Ca O6 Ta2'
_chemical_name_systematic        'Calcium ditantalum oxide'
_space_group_IT_number           200
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.78
_cell_length_b                   7.78
_cell_length_c                   7.78
_cell_volume                     470.9
_refine_ls_R_factor_all          0.067
_cod_database_code               2002339
Isolierte quadratische Koordination von Pt2+ in Ba Nd2 Pt5.
Schiffler, S; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 523 (1985) 63–68; doi:10.1002/zaac.19855230409

data_2002340
_publ_section_title
;
Isolierte quadratische Koordination von Pt2+ in Ba Nd2 Pt5.
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              63
_journal_page_last               68
_journal_paper_doi               10.1002/zaac.19855230409
_journal_volume                  523
_journal_year                    1985
_chemical_formula_structural     'Ba Nd2 (Pt O5)'
_chemical_formula_sum            'Ba Nd2 O5 Pt'
_chemical_name_systematic        'Barium dineodymium platinate(II)'
_space_group_IT_number           117
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      117
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7569(6)
_cell_length_b                   6.7569(6)
_cell_length_c                   5.91191
_cell_volume                     269.9
_refine_ls_R_factor_all          0.067
_cod_database_code               2002340
Ein neues gemischtvalentes Oxoniobat: Sr7 (Nb4+)2 (Nb5+)4 O21 = Sr1.167 Nb O3.5.
Schueckel, K; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 523 (1985) 69–75; doi:10.1002/zaac.19855230410

data_2002341
_publ_section_title
;
Ein neues gemischtvalentes Oxoniobat: Sr7 (Nb4+)2 (Nb5+)4 O21 = Sr1.167
Nb O3.5.
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              69
_journal_page_last               75
_journal_paper_doi               10.1002/zaac.19855230410
_journal_volume                  523
_journal_year                    1985
_chemical_formula_structural     'Sr7 Nb6 O21'
_chemical_formula_sum            'Nb6 O21 Sr7'
_chemical_name_systematic
;
Heptastrontium diniobium(IV) tetraniobium oxide
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.670(1)
_cell_length_b                   5.670(1)
_cell_length_c                   48.364(13)
_cell_volume                     1346.5
_refine_ls_R_factor_all          0.016
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               2002341
Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5 Br2
Leib, W; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 521 (1985) 51–56; doi:10.1002/zaac.19855210207

data_2002342
_publ_section_title
;
Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5
Br2
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              51
_journal_page_last               56
_journal_paper_doi               10.1002/zaac.19855210207
_journal_volume                  521
_journal_year                    1985
_chemical_formula_structural     'Ba3 Fe2 O5 Cl2'
_chemical_formula_sum            'Ba3 Cl2 Fe2 O5'
_chemical_name_systematic        'Tribarium diiron(III) pentaoxide dichloride'
_space_group_IT_number           199
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9705(3)
_cell_length_b                   9.9705(3)
_cell_length_c                   9.9705(3)
_cell_volume                     991.2
_refine_ls_R_factor_all          0.058
_cod_database_code               2002342