LMucko/crystallography-open-database huggingface dataset:
Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder X-Ray diffraction
Shimakawa, Y.; Kubo, Y.; Igarashi, H.; Manako, T.; Nakabayashi, Y.; Physica C (Amsterdam) 156 (1988) 97–102; doi:

data_1540969
_publ_section_title
;
 Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder
 X-Ray diffraction
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              97
_journal_page_last               102
_journal_volume                  156
_journal_year                    1988
_chemical_formula_sum            'Ba2 Cu O6 Tl2'
_chemical_name_systematic        'Tl2 Ba2 Cu O6'
_space_group_IT_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                   3.85944
_cell_length_b                   3.85944
_cell_length_c                   23.1272
_cell_volume                     344.486
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Shimakawa_PHYCE6_1988_163.cif
_cod_data_source_block           Ba2Cu1O6Tl2
_cod_original_cell_volume        344.4861
_cod_original_formula_sum        'Ba2 Cu1 O6 Tl2'
_cod_database_code               1540969
Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder X-Ray diffraction
Shimakawa, Y.; Nakabayashi, Y.; Manako, T.; Kubo, Y.; Igarashi, H.; Physica C (Amsterdam) 156 (1988) 97–102; doi:

data_1540970
_publ_section_title
;
 Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder
 X-Ray diffraction
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              97
_journal_page_last               102
_journal_volume                  156
_journal_year                    1988
_chemical_formula_sum            'Ba1.9 Ca0.94 Cu1.9 O8 Tl2.26'
_chemical_name_systematic        'Tl2.26 Ba1.9 Ca.94 Cu1.9 O8'
_space_group_IT_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                   3.85032
_cell_length_b                   3.85032
_cell_length_c                   29.2997
_cell_volume                     434.367
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Shimakawa_PHYCE6_1988_169.cif
_cod_data_source_block           Ba1.9Ca0.94Cu1.9O8Tl2.26
_cod_database_code               1540970
Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder X-Ray diffraction
Shimakawa, Y.; Kubo, Y.; Manako, T.; Nakabayashi, Y.; Igarashi, H.; Physica C (Amsterdam) 156 (1988) 97–102; doi:

data_1540971
_publ_section_title
;
 Rietveld analysis of Tl2 Ba2 Can-1 Cun O4+2N (n= 1, 2 and 3) by powder
 X-Ray diffraction
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              97
_journal_page_last               102
_journal_volume                  156
_journal_year                    1988
_chemical_formula_sum            'Ba1.92 Ca1.9 Cu2.91 O10 Tl2.27'
_chemical_name_systematic        'Tl2.27 Ba1.92 Ca1.9 Cu2.91 O10'
_space_group_IT_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                   3.84775
_cell_length_b                   3.84775
_cell_length_c                   35.5859
_cell_volume                     526.856
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Shimakawa_PHYCE6_1988_172.cif
_cod_data_source_block           Ba1.92Ca1.9Cu2.91O10Tl2.27
_cod_original_cell_volume        526.8557
_cod_database_code               1540971
141Pr and 149Tb NMR study of the magnetic properties of R Co5+x (R= Pr and Tb)
Shimizu, K.; Ichinose, K.; Jin Hanmin; Journal of Magnetism and Magnetic Materials 134 (1994) 41–46; doi:

data_1540972
_publ_section_title
;
 141Pr and 149Tb NMR study of the magnetic properties of R Co5+x (R= Pr
 and Tb)
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              41
_journal_page_last               46
_journal_volume                  134
_journal_year                    1994
_chemical_formula_sum            'Co5 Pr'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.011
_cell_length_b                   5.011
_cell_length_c                   3.982
_cell_volume                     86.593
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Shimizu_JMMMDC_1994_1050.cif
_cod_data_source_block           Co5Pr1
_cod_original_cell_volume        86.59259
_cod_original_formula_sum        'Co5 Pr1'
_cod_database_code               1540972
A study on the S-block structure in hexagonal ferrites
Shin, H.-S.; Lee, J.-H.; Kwon, S.-J.; Yoop Hakoechi (Journal of the Korean Ceramic Society) 31 (1994) 62–68; doi:

data_1540973
_publ_section_title
;
 A study on the S-block structure in hexagonal ferrites
;
_journal_name_full
'Yoop Hakoechi (Journal of the Korean Ceramic Society)'
_journal_page_first              62
_journal_page_last               68
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Co Fe2 O4'
_chemical_name_systematic        '(Co Fe2) O4'
_space_group_IT_number           166
_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                   5.9366
_cell_length_b                   5.9366
_cell_length_c                   14.543
_cell_volume                     443.875
_citation_journal_id_ASTM        YPHJAP
_cod_data_source_file            Shin_YPHJAP_1994_1720.cif
_cod_data_source_block           Co1Fe2O4
_cod_original_cell_volume        443.8745
_cod_original_formula_sum        'Co1 Fe2 O4'
_cod_database_code               1540973
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Takahashi, I.; Onodera, A.; Yoshida, M.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540974
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'H6.56 N1.64 O4 Rb0.36 S'
_chemical_name_systematic        '((N H4)1.64 Rb0.36) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8005
_cell_length_b                   10.5677
_cell_length_c                   5.9351
_cell_volume                     489.250
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1384.cif
_cod_data_source_block           H6.56N1.64O4Rb0.36S1
_cod_original_cell_volume        489.2502
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H6.56 N1.64 O4 Rb0.36 S1'
_cod_database_code               1540974
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Takahashi, I.; Onodera, A.; Yoshida, M.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540975
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'H3.04 N0.76 O4 Rb1.24 S'
_chemical_name_systematic        '((N H4)0.76 Rb1.24) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.826
_cell_length_b                   10.466
_cell_length_c                   5.9725
_cell_volume                     489.189
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1385.cif
_cod_data_source_block           H3.04N0.76O4Rb1.24S1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H3.04 N0.76 O4 Rb1.24 S1'
_cod_database_code               1540975
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Yoshida, M.; Onodera, A.; Takahashi, I.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540976
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'H1.36 N0.34 O4 Rb1.66 S'
_chemical_name_systematic        '((N H4)0.34 Rb1.66) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.814
_cell_length_b                   10.44
_cell_length_c                   5.9715
_cell_volume                     487.144
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1386.cif
_cod_data_source_block           H1.36N0.34O4Rb1.66S1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H1.36 N0.34 O4 Rb1.66 S1'
_cod_database_code               1540976
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Takahashi, I.; Onodera, A.; Yoshida, M.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540977
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'Cs0.32 H6.72 N1.68 O4 S'
_chemical_name_systematic        '((N H4)1.68 Cs0.32) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.819
_cell_length_b                   10.651
_cell_length_c                   6.01
_cell_volume                     500.514
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1387.cif
_cod_data_source_block           H6.72Cs0.32N1.68O4S1
_cod_original_cell_volume        500.5138
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H6.72 Cs0.32 N1.68 O4 S1'
_cod_database_code               1540977
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Onodera, A.; Yoshida, M.; Takahashi, I.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540978
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'Cs1.6 H1.6 N0.4 O4 S'
_chemical_name_systematic        '((N H4)0.4 Cs1.6) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.139
_cell_length_b                   10.901
_cell_length_c                   6.204
_cell_volume                     550.439
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1388.cif
_cod_data_source_block           H1.6Cs1.6N0.4O4S1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H1.6 Cs1.6 N0.4 O4 S1'
_cod_database_code               1540978
X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4 - R2 S O4 (R= K, Rb, Cs)
Shiozaki, Y.; Onodera, A.; Yoshida, M.; Takahashi, I.; Ferroelectrics 96 (1989) 73–77; doi:

data_1540979
_publ_section_title
;
 X-ray study of ferroelectric behaviour in the mixed crystals (N H4)2 S O4
 - R2 S O4 (R= K, Rb, Cs)
;
_journal_name_full               Ferroelectrics
_journal_page_first              73
_journal_page_last               77
_journal_volume                  96
_journal_year                    1989
_chemical_formula_sum            'Cs2 O4 S'
_chemical_name_systematic        'Cs2 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.218
_cell_length_b                   10.916
_cell_length_c                   6.244
_cell_volume                     560.135
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Shiozaki_FEROA8_1989_1389.cif
_cod_data_source_block           Cs2O4S1
_cod_original_cell_volume        560.1348
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cs2 O4 S1'
_cod_database_code               1540979
A variation on the sigma-phase structure: the crystal structure of the P phase, Mo - Ni - Cr
Shoemaker, C.B.; Shoemaker, D.P.; Acta Crystallographica (1,1948-23,1967) 8 (1955) 734–735; doi:

data_2311049
_publ_section_title
;
 A variation on the sigma-phase structure: the crystal structure of the P
 phase, Mo - Ni - Cr
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              734
_journal_page_last               735
_journal_volume                  8
_journal_year                    1955
_chemical_formula_sum            'Cr10.08 Mo23.52 Ni22.4'
_chemical_name_systematic        '(Cr9 Mo21 Ni20)1.12'
_space_group_IT_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            1
_cell_length_a                   17.01
_cell_length_b                   4.74
_cell_length_c                   9.07
_cell_volume                     731.291
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Shoemaker_ACCRA9_1955_330.cif
_cod_data_source_block           Cr10.08Mo23.52Ni22.4
_cod_original_cell_volume        731.2905
_cod_database_code               2311049
The crystal structure of keatite, a new form of silica
Shropshire, J.; Keat, P.P.; Vaughan, P.A.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 112 (1959) 409–413; doi:

data_8104322
_publ_section_title
;
 The crystal structure of keatite, a new form of silica
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              409
_journal_page_last               413
_journal_volume                  112
_journal_year                    1959
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   7.464
_cell_length_b                   7.464
_cell_length_c                   8.62
_cell_volume                     480.231
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            Shropshire_ZKKKAJ_1959_381.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        480.2314
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               8104322
Neutron and X-ray diffraction studies of non-stoichiometric metal hydrides
Sidhu, S.S.; Satya Murthy, N.S.; Campos, F.P.; Zauberis, D.D.; Advances in Chemistry Series 39 (1963) 87–98; doi:

data_1540980
_publ_section_title
;
 Neutron and X-ray diffraction studies of non-stoichiometric metal
 hydrides
;
_journal_name_full               'Advances in Chemistry Series'
_journal_page_first              87
_journal_page_last               98
_journal_volume                  39
_journal_year                    1963
_chemical_formula_sum            'D4 Zr2'
_chemical_name_systematic        'Zr2 D4'
_space_group_IT_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            1
_cell_length_a                   3.495
_cell_length_b                   3.495
_cell_length_c                   4.463
_cell_volume                     54.516
_citation_journal_id_ASTM        ADCSAJ
_cod_data_source_file            Sidhu_ADCSAJ_1963_1238.cif
_cod_data_source_block           D4Zr2
_cod_original_cell_volume        54.51565
_cod_database_code               1540980
Neutron and X-ray diffraction studies of non-stoichiometric metal hydrides
Sidhu, S.S.; Satya Murthy, N.S.; Campos, F.P.; Zauberis, D.D.; Advances in Chemistry Series 39 (1963) 87–98; doi:

data_1540981
_publ_section_title
;
 Neutron and X-ray diffraction studies of non-stoichiometric metal
 hydrides
;
_journal_name_full               'Advances in Chemistry Series'
_journal_page_first              87
_journal_page_last               98
_journal_volume                  39
_journal_year                    1963
_chemical_formula_sum            'D Zr'
_chemical_name_systematic        'Zr D'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.586
_cell_length_b                   4.586
_cell_length_c                   4.948
_cell_volume                     104.063
_citation_journal_id_ASTM        ADCSAJ
_cod_data_source_file            Sidhu_ADCSAJ_1963_371.cif
_cod_data_source_block           D1Zr1
_cod_original_cell_volume        104.0633
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'D1 Zr1'
_cod_database_code               1540981
K4 Al2 Nb11 O20 F - "missing link" der Clusterkondensation
Simon, A.; Koehler, J.; Miller, G.; Tischtau, R.; Angewandte Chemie (German Edition) 101 (1989) 1695–1696; doi:

data_1540982
_publ_section_title
;
 K4 Al2 Nb11 O20 F - "missing link" der Clusterkondensation
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              1695
_journal_page_last               1696
_journal_volume                  101
_journal_year                    1989
_chemical_formula_sum            'Al2 F K4 Nb11 O20'
_chemical_name_systematic        'K4 Al2 Nb11 O20 F'
_space_group_IT_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                   8.7857
_cell_length_b                   8.7857
_cell_length_c                   12.637
_cell_volume                     975.431
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Simon_ANCEAD_1989_841.cif
_cod_data_source_block           Al2F1K4Nb11O20
_cod_original_cell_volume        975.4313
_cod_original_formula_sum        'Al2 F1 K4 Nb11 O20'
_cod_database_code               1540982
Kristalline Stickstoffoxide - Struktur von N2O3 mit einer Anmerkung zur Struktur von N2O5
Simon, A.; Obermeyer, A.; Horakh, J.; Borrmann, H.; Angewandte Chemie (German Edition) 104 (1992) 325–327; doi:

data_1540983
_publ_section_title
;
 Kristalline Stickstoffoxide - Struktur von N2O3 mit einer Anmerkung zur
 Struktur von N2O5
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              325
_journal_page_last               327
_journal_volume                  104
_journal_year                    1992
_chemical_formula_sum            'N2 O3'
_chemical_name_systematic        '(N O) (N O2)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0686
_cell_length_b                   6.4796
_cell_length_c                   8.6326
_cell_volume                     283.516
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Simon_ANCEAD_1992_1522.cif
_cod_data_source_block           N2O3
_cod_original_cell_volume        283.5162
_cod_database_code               1540983
Location of hydrogen atoms in the crystal structure of Ba(B(OH)4)2*H2O
Simonov, M.A.; Karpov, O.G.; Shvirkst, Ya.Ya.; Gode, G.K.; Kristallografiya 34 (1989) 1292–1294; doi:

data_1540984
_publ_section_title
;
 Location of hydrogen atoms in the crystal structure of Ba(B(OH)4)2*H2O
;
_journal_name_full               Kristallografiya
_journal_page_first              1292
_journal_page_last               1294
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'B2 Ba H10 O9'
_chemical_name_systematic        'Ba (B (O H)4)2 H2 O'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                102.32
_cell_formula_units_Z            4
_cell_length_a                   5.961
_cell_length_b                   15.16
_cell_length_c                   8.543
_cell_volume                     754.242
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Simonov_KRISAJ_1989_1903.cif
_cod_data_source_block           H10B2Ba1O9
_cod_original_cell_volume        754.2416
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H10 B2 Ba1 O9'
_cod_database_code               1540984