LMucko/crystallography-open-database huggingface dataset:
Preparation and crystal structure of guanidinium cyclododecaphosphate hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O)
Schuelke, U; Averbuch-Pouchot, M T; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1232–1236; doi:10.1002/zaac.19956210721

data_1008710
_publ_section_title
;
Preparation and crystal structure of guanidinium cyclododecaphosphate
hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1232
_journal_page_last               1236
_journal_paper_doi               10.1002/zaac.19956210721
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     '(C (N H2)3)12 (P12 O36) (H2 O)6'
_chemical_formula_sum            'C12 H84 N36 O42 P12'
_chemical_name_systematic
;
Dodecaguanidinium cyclo-dodecaphosphate hexahydrate
;
_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            2
_cell_length_a                   15.904(7)
_cell_length_b                   15.904(7)
_cell_length_c                   16.67(2)
_cell_volume                     3651.6
_refine_ls_R_factor_all          0.05
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H84 N36 O42 P12'
_cod_database_code               1008710
Synthesis and crystallographic characterization of the mixed-valence reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47
Crespin, M; Bassat, J M; Odier, P; Mouron, P; Choisnet, J; Journal of Solid State Chemistry 84 (1990) 165–170; doi:10.1016/0022-4596(90)90195-4

data_1008711
_publ_section_title
;
Synthesis and crystallographic characterization of the mixed-valence
reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               170
_journal_paper_doi               10.1016/0022-4596(90)90195-4
_journal_volume                  84
_journal_year                    1990
_chemical_formula_analytical     'La1.6 Sr0.4 Ni O3.47'
_chemical_formula_structural     'La1.6 Sr0.4 Ni O3.50'
_chemical_formula_sum            'La1.6 Ni O3.5 Sr0.4'
_chemical_name_systematic
;
Lanthanum strontium nickel oxide (1.6/0.4/1/3.50)
;
_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                   3.8728(6)
_cell_length_b                   3.7242(6)
_cell_length_c                   12.767(2)
_cell_volume                     184.1
_refine_ls_R_factor_all          0.052
_cod_duplicate_entry             1001696
_cod_original_formula_sum        'La1.6 Ni O3.5 Sr.4'
_cod_database_code               1008711
The crystal structure of a new quaternary ferrite: Ba12 Fe28 Ti15 O84
Grey, I E; Collomb, A; Obradors, X; Journal of Solid State Chemistry 91 (1991) 131–139; doi:10.1016/0022-4596(91)90066-Q

data_1008712
_publ_section_title
;
The crystal structure of a new quaternary ferrite: Ba12 Fe28 Ti15 O84
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              131
_journal_page_last               139
_journal_paper_doi               10.1016/0022-4596(91)90066-Q
_journal_volume                  91
_journal_year                    1991
_chemical_formula_analytical     'Ba11.5 Fe28.25 Ti15.25 O84.5'
_chemical_formula_structural     'Ba12 Fe29.28 Ti13.72 O84'
_chemical_formula_sum            'Ba12 Fe29.28 O84 Ti13.72'
_chemical_name_systematic
;
Barium iron titanium oxide (12/29.3/13.7/84)
;
_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                 99.33(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.988(7)
_cell_length_b                   17.29799(900)
_cell_length_c                   19.17(2)
_cell_volume                     3268.2
_refine_ls_R_factor_all          0.047
_cod_database_code               1008712
The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single- crystal neutron diffraction
Chaillout, C; Chmaissen, O; Capponi, J J; Fournier, T; McIntyre, G J; Marezio, M; Physica C (Amsterdam) (152,1988-) 175 (1991) 293–300; doi:10.1016/0921-4534(91)90600-4

data_1008713
_publ_section_title
;
The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single-
crystal neutron diffraction
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              293
_journal_page_last               300
_journal_paper_doi               10.1016/0921-4534(91)90600-4
_journal_volume                  175
_journal_year                    1991
_chemical_formula_analytical     'Pb2.03 Sr1.93 Y0.65 Ca0.43 Cu3 O8'
_chemical_formula_structural     'Pb2 Sr1.968 (Y0.73 Ca0.27) Cu2.969 O7.73'
_chemical_formula_sum            'Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73'
_chemical_name_systematic
;
Lead strontium yttrium calcium copper oxide (2/1.97/0.7/0.3/2.97/7.7)
;
_space_group_IT_number           53
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      53
_symmetry_space_group_name_Hall  '-P 2ab 2'
_symmetry_space_group_name_H-M   'P m a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3835(8)
_cell_length_b                   5.4091(8)
_cell_length_c                   15.784(2)
_cell_volume                     459.6
_refine_ls_R_factor_all          0.063
_cod_original_formula_sum        'Ca.27 Cu2.969 O7.73 Pb2 Sr1.968 Y.73'
_cod_database_code               1008713
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P; Journal of Alloys Compd. 231 (1995) 760–765; doi:10.1016/0925-8388(95)01714-3

data_1008714
_publ_section_title
;
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-
x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              760
_journal_page_last               765
_journal_paper_doi               10.1016/0925-8388(95)01714-3
_journal_volume                  231
_journal_year                    1995
_chemical_formula_structural     'Zr (Cr0.8 (Cu0.1 Ni0.1))2 D3.78'
_chemical_formula_sum            'Cr1.6 Cu0.2 D3.78 Ni0.2 Zr'
_chemical_name_systematic
;
Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)
;
_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            4
_cell_length_a                   5.371(1)
_cell_length_b                   5.371(1)
_cell_length_c                   8.782(3)
_cell_volume                     219.4
_refine_ls_R_factor_all          0.012
_cod_original_formula_sum        'D3.78 Cr1.6 Cu.2 Ni.2 Zr'
_cod_database_code               1008714
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P; Journal of Alloys Compd. 231 (1995) 760–765; doi:10.1016/0925-8388(95)01714-3

data_1008715
_publ_section_title
;
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-
x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              760
_journal_page_last               765
_journal_paper_doi               10.1016/0925-8388(95)01714-3
_journal_volume                  231
_journal_year                    1995
_chemical_formula_structural     'Zr (Cr0.7 (Cu0.15 Ni0.15))2 D3.48'
_chemical_formula_sum            'Cr1.4 Cu0.3 D3.48 Ni0.3 Zr'
_chemical_name_systematic
;
Zirconium chromium copper nickel deuteride (1/1.4/0.3/0.3/3.48)
;
_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            4
_cell_length_a                   5.385(2)
_cell_length_b                   5.385(2)
_cell_length_c                   8.818(5)
_cell_volume                     221.4
_refine_ls_R_factor_all          0.026
_cod_original_formula_sum        'D3.48 Cr1.4 Cu.3 Ni.3 Zr'
_cod_database_code               1008715
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P; Journal of Alloys Compd. 231 (1995) 760–765; doi:10.1016/0925-8388(95)01714-3

data_1008716
_publ_section_title
;
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-
x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              760
_journal_page_last               765
_journal_paper_doi               10.1016/0925-8388(95)01714-3
_journal_volume                  231
_journal_year                    1995
_chemical_formula_structural     'Zr (Cr0.6 (Cu0.2 Ni0.2))2 D3.51'
_chemical_formula_sum            'Cr1.2 Cu0.4 D3.51 Ni0.4 Zr'
_chemical_name_systematic
;
Zirconium chromium copper nickel deuteride (1/1.2/0.4/0.4/3.51)
;
_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            4
_cell_length_a                   5.343(2)
_cell_length_b                   5.343(2)
_cell_length_c                   8.744(3)
_cell_volume                     216.2
_refine_ls_R_factor_all          0.015
_cod_original_formula_sum        'D3.51 Cr1.2 Cu.4 Ni.4 Zr'
_cod_database_code               1008716
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P; Journal of Alloys Compd. 231 (1995) 760–765; doi:10.1016/0925-8388(95)01714-3

data_1008717
_publ_section_title
;
Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-
x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              760
_journal_page_last               765
_journal_paper_doi               10.1016/0925-8388(95)01714-3
_journal_volume                  231
_journal_year                    1995
_chemical_formula_structural     'Zr (Cr0.8 (Cu0.5 Ni0.5)0.2)2 D3.8'
_chemical_formula_sum            'Cr1.6 Cu0.2 D3.8 Ni0.2 Zr'
_chemical_name_systematic
;
Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.666(1)
_cell_length_b                   7.666(1)
_cell_length_c                   7.666(1)
_cell_volume                     450.5
_refine_ls_R_factor_all          0.037
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_original_formula_sum        'D3.8 Cr1.6 Cu.2 Ni.2 Zr'
_cod_database_code               1008717
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B
Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D; Journal of Applied Physics 78 (1995) 1892–1898; doi:10.1063/1.360720

data_1008718
_publ_section_title
;
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2
Fe14 B
;
_journal_coden_ASTM              JAPIAU
_journal_issue                   3
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1892
_journal_page_last               1898
_journal_paper_doi               10.1063/1.360720
_journal_volume                  78
_journal_year                    1995
_chemical_formula_structural     'Nd2 Fe14 B'
_chemical_formula_sum            'B Fe14 Nd2'
_chemical_name_systematic        'Neodymium iron boride (2/14/1)'
_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            4
_cell_length_a                   8.805
_cell_length_b                   8.805
_cell_length_c                   12.206
_cell_volume                     946.3
_refine_ls_R_factor_all          0.046
_cod_database_code               1008718
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B
Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D; Journal of Applied Physics 78 (1995) 1892–1898; doi:10.1063/1.360720

data_1008719
_publ_section_title
;
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2
Fe14 B
;
_journal_coden_ASTM              JAPIAU
_journal_issue                   3
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1892
_journal_page_last               1898
_journal_paper_doi               10.1063/1.360720
_journal_volume                  78
_journal_year                    1995
_chemical_formula_analytical     'Nd2 Fe14 B H'
_chemical_formula_structural     'Nd2 Fe14 B H1.04'
_chemical_formula_sum            'B Fe14 H1.04 Nd2'
_chemical_name_systematic        'Neodymium iron boride hydride (2/14/1/1.04)'
_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            4
_cell_length_a                   8.841
_cell_length_b                   8.841
_cell_length_c                   12.242
_cell_volume                     956.9
_refine_ls_R_factor_all          0.04
_cod_original_formula_sum        'H1.04 B Fe14 Nd2'
_cod_database_code               1008719
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B
Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D; Journal of Applied Physics 78 (1995) 1892–1898; doi:10.1063/1.360720

data_1008720
_publ_section_title
;
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2
Fe14 B
;
_journal_coden_ASTM              JAPIAU
_journal_issue                   3
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1892
_journal_page_last               1898
_journal_paper_doi               10.1063/1.360720
_journal_volume                  78
_journal_year                    1995
_chemical_formula_analytical     'Nd2 Fe14 B H2'
_chemical_formula_structural     'Nd2 Fe14 B H1.86'
_chemical_formula_sum            'B Fe14 H1.86 Nd2'
_chemical_name_systematic        'Neodymium iron boride hydride (2/14/1/1.86)'
_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            4
_cell_length_a                   8.869
_cell_length_b                   8.869
_cell_length_c                   12.294
_cell_volume                     967.0
_refine_ls_R_factor_all          0.041
_cod_original_formula_sum        'H1.86 B Fe14 Nd2'
_cod_database_code               1008720
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B
Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D; Journal of Applied Physics 78 (1995) 1892–1898; doi:10.1063/1.360720

data_1008721
_publ_section_title
;
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2
Fe14 B
;
_journal_coden_ASTM              JAPIAU
_journal_issue                   3
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1892
_journal_page_last               1898
_journal_paper_doi               10.1063/1.360720
_journal_volume                  78
_journal_year                    1995
_chemical_formula_analytical     'Nd2 Fe14 B H3'
_chemical_formula_structural     'Nd2 Fe14 B H3.31'
_chemical_formula_sum            'B Fe14 H3.31 Nd2'
_chemical_name_systematic        'Neodymium iron boride hydride (2/14/1/3.31)'
_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            4
_cell_length_a                   8.906
_cell_length_b                   8.906
_cell_length_c                   12.327
_cell_volume                     977.7
_refine_ls_R_factor_all          0.038
_cod_original_formula_sum        'H3.31 B Fe14 Nd2'
_cod_database_code               1008721
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B
Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D; Journal of Applied Physics 78 (1995) 1892–1898; doi:10.1063/1.360720

data_1008722
_publ_section_title
;
Neutron-diffraction study of the insertion scheme of hydrogen in Nd2
Fe14 B
;
_journal_coden_ASTM              JAPIAU
_journal_issue                   3
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1892
_journal_page_last               1898
_journal_paper_doi               10.1063/1.360720
_journal_volume                  78
_journal_year                    1995
_chemical_formula_analytical     'Nd2 Fe14 B H4'
_chemical_formula_structural     'Nd2 Fe14 B H4.73'
_chemical_formula_sum            'B Fe14 H4.73 Nd2'
_chemical_name_systematic        'Neodymium iron boride hydride (2/14/1/4.73)'
_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            4
_cell_length_a                   8.917
_cell_length_b                   8.917
_cell_length_c                   12.344
_cell_volume                     981.5
_refine_ls_R_factor_all          0.044
_cod_original_formula_sum        'H4.73 B Fe14 Nd2'
_cod_database_code               1008722
Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d
Marezio, M; Alexandre, E T; Bordet, P; Capponi, J - J; Chaillout, C; Kopnin, E M; Loureiro, S M; Radaelli, P G; Van Tendeloo, G; Journal of Superconductivity 8 (1995) 507–510; doi:10.1007/BF00722842

data_1008723
_publ_section_title
;
Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d
;
_journal_coden_ASTM              JOUSEH
_journal_issue                   4
_journal_name_full               'Journal of Superconductivity'
_journal_page_first              507
_journal_page_last               510
_journal_paper_doi               10.1007/BF00722842
_journal_volume                  8
_journal_year                    1995
_chemical_formula_structural     'Hg Ba2 Cu O4.12'
_chemical_formula_sum            'Ba2 Cu Hg O4.12'
_chemical_name_systematic        'Mercury barium copper oxide (1/2/1/4.12)'
_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                   3.87320(2)
_cell_length_b                   3.87320(2)
_cell_length_c                   9.48088(8)
_cell_volume                     142.2
_refine_ls_R_factor_all          0.03
_cod_database_code               1008723
La structure du ferrite dicalcique et de la Brownmillerite.
Bertaut, F; Blum, P; Sagnieres, A; Acta Crystallographica (1,1948-23,1967) 12 (1959) 149–159; doi:10.1107/S0365110X59000433

data_1008724
_publ_section_title
;
La structure du ferrite dicalcique et de la Brownmillerite.
;
_journal_coden_ASTM              ACCRA9
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              149
_journal_page_last               159
_journal_paper_doi               10.1107/S0365110X59000433
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     'Fe Al O3 (Ca O)2'
_chemical_formula_sum            'Al Ca2 Fe O5'
_chemical_name_mineral           Brownmillerite
_chemical_name_systematic
;
Iron(III) aluminium oxide bis(calcium oxide) *
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.58
_cell_length_b                   14.5
_cell_length_c                   5.34
_cell_volume                     432.1
_cod_database_code               1008724
_cod_duplicate_entry 1008124