LMucko/crystallography-open-database huggingface dataset:
New high-pressure polymorph of zinc oxide
Bates, C.H.; White, W.B.; Science 137 (1962) 993–993; doi:

data_1534836
_publ_section_title
;
 New high-pressure polymorph of zinc oxide
;
_journal_name_full               Science
_journal_page_first              993
_journal_page_last               993
_journal_volume                  137
_journal_year                    1962
_chemical_formula_sum            'O Zn'
_chemical_name_systematic        'Zn O'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.28
_cell_length_b                   4.28
_cell_length_c                   4.28
_cell_volume                     78.403
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            Bates_SCIEAS_1962_559.cif
_cod_data_source_block           O1Zn1
_cod_original_cell_volume        78.40276
_cod_original_formula_sum        'O1 Zn1'
_cod_database_code               1534836
Synthesis and crystal structure of the new quaternary niobium thiophosphate Rb2 Nb2 P2 S11
Gutzmann, A.; Bensch, W.; Solid State Sciences 4 (2002) 835–840; doi:

data_1534837
_publ_section_title
;
 Synthesis and crystal structure of the new quaternary niobium
 thiophosphate Rb2 Nb2 P2 S11
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              835
_journal_page_last               840
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Nb2 P2 Rb2 S11'
_chemical_name_systematic        'Rb2 (Nb2 S (S2) (P S4)2)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7511
_cell_length_b                   7.0532
_cell_length_c                   18.437
_cell_volume                     867.578
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2002_494.cif
_cod_data_source_block           Nb2P2Rb2S11
_cod_original_cell_volume        867.5776
_cod_database_code               1534837
Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop
Shihada, A.-F.; Abushamleh, A.S.; Weller, F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 841–847; doi:

data_1534838
_publ_section_title
;
 Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O),
 cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and
 (HL) (Sn Cl5 (H2 O)). 2.5(H2 O)
 (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18
 H18 N4 O2) loop
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              841
_journal_page_last               847
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cl6 H14 O8 Sn2'
_chemical_name_systematic        '(Cl3 Sn (H2 O) (O H))2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6154
_cell_length_b                   6.4629
_cell_length_c                   12.482
_cell_volume                     774.780
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Shihada_ZAACAB_2004_1337.cif
_cod_data_source_block           H14Cl6O8Sn2
_cod_original_cell_volume        774.7803
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H14 Cl6 O8 Sn2'
_cod_database_code               1534838
Crystal structure of rubidium titanilphosphate alpha RbTiOPO4
Lyakhov, A.S.; Selevich, A.F.; Verenich, A.I.; Zhurnal Neorganicheskoi Khimii 38 (1993) 1121–1124; doi:

data_1534839
_publ_section_title
;
 Crystal structure of rubidium titanilphosphate alpha RbTiOPO4
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1121
_journal_page_last               1124
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'O5 P Rb Ti'
_chemical_name_systematic        'Rb (Ti O) (P O4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.518
_cell_length_b                   10.582
_cell_length_c                   12.995
_cell_volume                     896.310
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Lyakhov_ZNOKAQ_1993_1362.cif
_cod_data_source_block           O5P1Rb1Ti1
_cod_original_cell_volume        896.3103
_cod_original_sg_symbol_Hall     'P 2c -2n (y,z,x)'
_cod_original_formula_sum        'O5 P1 Rb1 Ti1'
_cod_database_code               1534839
Interaction of Vinylgermanes with Iron Carbonyls. X-Ray Crystal Structure of the Ge (Fe (C O)4)4 Complex
Batsanov, A.S.; Struchkov, Yu.T.; Rybin, L.V.; Rybinskaya, M.I.; Salimgareeva, I.M.; Bogatova, N.G.; Journal of Organometallic Chemistry 249 (1983) 319–326; doi:

data_4031581
_publ_section_title
;
 Interaction of Vinylgermanes with Iron Carbonyls. X-Ray Crystal Structure
 of the Ge (Fe (C O)4)4 Complex
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              319
_journal_page_last               326
_journal_volume                  249
_journal_year                    1983
_chemical_formula_sum            'C16 Fe4 Ge O16'
_chemical_name_systematic        'Ge (Fe (C O)4)4'
_space_group_IT_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                 98.74
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.494
_cell_length_b                   11.818
_cell_length_c                   20.652
_cell_volume                     2290.250
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Batsanov_JORCAI_1983_312.cif
_cod_data_source_block           C16Fe4Ge1O16
_cod_original_cell_volume        2290.25
_cod_original_formula_sum        'C16 Fe4 Ge1 O16'
_cod_database_code               4031581
Synthesis, crystal structure and optical properties of the new layered quaternary tantalum thiophosphate Rb4 Ta4 P4 S24 based on the interconnection of Ta2 S11 units by P S4 tetrahedra
Gutzmann, A.; Bensch, W.; Solid State Sciences 5 (2003) 1271–1276; doi:

data_1534840
_publ_section_title
;
 Synthesis, crystal structure and optical properties of the new layered
 quaternary tantalum thiophosphate Rb4 Ta4 P4 S24 based on the
 interconnection of Ta2 S11 units by P S4 tetrahedra
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1271
_journal_page_last               1276
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'P4 Rb4 S24 Ta4'
_chemical_name_systematic        'Rb4 (Ta4 P4 S24)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.849
_cell_length_b                   17.647
_cell_length_c                   15.9
_cell_volume                     3719.807
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2003_954.cif
_cod_data_source_block           P4Rb4S24Ta4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1534840
Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop
Shihada, A.-F.; Abushamleh, A.S.; Weller, F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 841–847; doi:

data_1534841
_publ_section_title
;
 Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O),
 cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and
 (HL) (Sn Cl5 (H2 O)). 2.5(H2 O)
 (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18
 H18 N4 O2) loop
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              841
_journal_page_last               847
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cl4 H10 O5 Sn'
_chemical_name_systematic        '(Cl4 Sn (H2 O)2) (H2 O)3'
_space_group_IT_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                 103.857
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.27
_cell_length_b                   9.9481
_cell_length_c                   8.6398
_cell_volume                     1023.909
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Shihada_ZAACAB_2004_1338.cif
_cod_data_source_block           H10Cl4O5Sn1
_cod_original_formula_sum        'H10 Cl4 O5 Sn1'
_cod_database_code               1534841
Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O)
Lyakhov, A.S.; Palkina, K.K.; Selevich, A.F.; Zhurnal Neorganicheskoi Khimii 39 (1994) 1438–1442; doi:

data_1534842
_publ_section_title
;
 Crystal structure of ammonium triphosphate hydrate (N H4)5 P3 O10 .(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1438
_journal_page_last               1442
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'H22 N5 O11 P3'
_chemical_name_systematic        '(N H4)5 (P3 O10) (H2 O)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.429
_cell_length_b                   10.326
_cell_length_c                   11.013
_cell_volume                     731.107
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Lyakhov_ZNOKAQ_1994_1452.cif
_cod_data_source_block           H22N5O11P3
_cod_original_cell_volume        731.1074
_cod_original_sg_symbol_Hall     'P -2yc (x-z,y,z)'
_cod_database_code               1534842
The structural properties of the oxygen conducting delta phase of Bi2 O3
Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.; Journal of Physics C 16 (1983) 561–566; doi:

data_1534843
_publ_section_title
;
 The structural properties of the oxygen conducting delta phase of Bi2 O3
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              561
_journal_page_last               566
_journal_volume                  16
_journal_year                    1983
_chemical_formula_sum            'Bi2 O3'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.648
_cell_length_b                   5.648
_cell_length_c                   5.648
_cell_volume                     180.171
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Battle_JPSOAW_1983_689.cif
_cod_data_source_block           Bi2O3
_cod_original_cell_volume        180.1706
_cod_database_code               1534843
Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates
Gutzmann, A.; Naether, C.; Bensch, W.; Solid State Sciences 6 (2004) 205–211; doi:

data_1534844
_publ_section_title
;
 Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A =
 Rb, Cs): the first quaternary zirconium thiophosphates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              205
_journal_page_last               211
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'P5 Rb3 S18 Zr2'
_chemical_name_systematic        'Rb3 (Zr2 P5 S18)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2479
_cell_length_b                   9.86
_cell_length_c                   33.622
_cell_volume                     3055.357
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2004_1146.cif
_cod_data_source_block           P5Rb3S18Zr2
_cod_database_code               1534844
Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop
Shihada, A.-F.; Abushamleh, A.S.; Weller, F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 841–847; doi:

data_1534845
_publ_section_title
;
 Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O),
 cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and
 (HL) (Sn Cl5 (H2 O)). 2.5(H2 O)
 (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18
 H18 N4 O2) loop
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              841
_journal_page_last               847
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cl4 H8 O4 Sn'
_chemical_name_systematic        '(Cl4 Sn (H2 O)2) (H2 O)2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.787
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.0253
_cell_length_b                   6.728
_cell_length_c                   11.6293
_cell_volume                     1875.681
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Shihada_ZAACAB_2004_1339.cif
_cod_data_source_block           H8Cl4O4Sn1
_cod_original_formula_sum        'H8 Cl4 O4 Sn1'
_cod_database_code               1534845
The structure and bonding of Ni3 Sn
Lyubimtsev, A.L.; Baranov, A.I.; Fischer, A.; Popovkin, B.A.; Kloo, L.; Journal of Alloys Compd. 340 (2002) 167–172; doi:

data_1534846
_publ_section_title
;
 The structure and bonding of Ni3 Sn
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              167
_journal_page_last               172
_journal_volume                  340
_journal_year                    2002
_chemical_formula_sum            'Ni3 Sn'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.295
_cell_length_b                   5.295
_cell_length_c                   4.247
_cell_volume                     103.120
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Lyubimtsev_JALCEU_2002_256.cif
_cod_data_source_block           Ni3Sn1
_cod_original_cell_volume        103.1205
_cod_original_formula_sum        'Ni3 Sn1'
_cod_database_code               1534846
The structural properties of the oxygen conducting delta phase of Bi2 O3
Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.; Journal of Physics C 16 (1983) 561–566; doi:

data_1534847
_publ_section_title
;
 The structural properties of the oxygen conducting delta phase of Bi2 O3
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              561
_journal_page_last               566
_journal_volume                  16
_journal_year                    1983
_chemical_formula_sum            'Bi1.46 O3 Y0.54'
_chemical_name_systematic        '(Bi2 O3)0.73 (Y2 O3)0.27'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.478
_cell_length_b                   5.478
_cell_length_c                   5.478
_cell_volume                     164.386
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Battle_JPSOAW_1983_690.cif
_cod_data_source_block           Bi1.46O3Y0.54
_cod_original_cell_volume        164.3865
_cod_database_code               1534847
Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates
Gutzmann, A.; Naether, C.; Bensch, W.; Solid State Sciences 6 (2004) 205–211; doi:

data_1534848
_publ_section_title
;
 Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A =
 Rb, Cs): the first quaternary zirconium thiophosphates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              205
_journal_page_last               211
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cs3 P5 S18 Zr2'
_chemical_name_systematic        'Cs3 (Zr2 P5 S18)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2882
_cell_length_b                   9.956
_cell_length_c                   34.061
_cell_volume                     3141.032
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2004_1147.cif
_cod_data_source_block           Cs3P5S18Zr2
_cod_database_code               1534848
Composition and structure of solid electrolyte: sodium-magnesium-titanium ternary oxide.
Shilov, G.V.; Atovmyan, L.O.; Kristallografiya 40 (1995) 824–828; doi:

data_1534849
_publ_section_title
;
 Composition and structure of solid electrolyte: sodium-magnesium-titanium
 ternary oxide.
;
_journal_name_full               Kristallografiya
_journal_page_first              824
_journal_page_last               828
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Mg2 Na20 O52 Ti20'
_chemical_name_systematic        'Na20 Mg2 Ti20 O52'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-B 2'
_space_group_name_H-M_alt        'B 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                86.29
_cell_formula_units_Z            1
_cell_length_a                   37.586
_cell_length_b                   9.451
_cell_length_c                   2.969
_cell_volume                     1052.454
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Shilov_KRISAJ_1995_1525.cif
_cod_data_source_block           Mg2Na20O52Ti20
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-23
;
_cod_database_code               1534849
Investigation of crystal structure of aluminium dihydridophosphate Al H2 P3 O10 - II
Lyutsko, V.A.; Lyakhov, A.S.; Palkina, K.K.; Tuchkovskii, G.K.; Zhurnal Neorganicheskoi Khimii 36 (1991) 1165–1169; doi:

data_1534850
_publ_section_title
;
 Investigation of crystal structure of aluminium dihydridophosphate Al H2
 P3 O10 - II
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1165
_journal_page_last               1169
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Al H2 O10 P3'
_chemical_name_systematic        'Al (H2 P3 O10)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.248
_cell_length_b                   8.53
_cell_length_c                   11.654
_cell_volume                     704.847
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Lyutsko_ZNOKAQ_1991_1142.cif
_cod_data_source_block           H2Al1O10P3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H2 Al1 O10 P3'
_cod_database_code               1534850
The crystal structures and magnetic properties of Ba2 La Ru O6 and Ca2 La Ru O6
Battle, P.D.; Goodenough, J.B.; Price, R.; Journal of Solid State Chemistry 46 (1983) 234–244; doi:

data_1534851
_publ_section_title
;
 The crystal structures and magnetic properties of Ba2 La Ru O6 and Ca2 La
 Ru O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              234
_journal_page_last               244
_journal_volume                  46
_journal_year                    1983
_chemical_formula_sum            'Ba2 La O6 Ru'
_chemical_name_systematic        'Ba2 La Ru O6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.86
_cell_angle_beta                 90.33
_cell_angle_gamma                90.03
_cell_formula_units_Z            2
_cell_length_a                   6.0299
_cell_length_b                   6.0587
_cell_length_c                   8.5371
_cell_volume                     311.883
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_1983_132.cif
_cod_data_source_block           Ba2La1O6Ru1
_cod_original_cell_volume        311.8828
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_original_formula_sum        'Ba2 La1 O6 Ru1'
_cod_database_code               1534851