LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra
Abs-Wurmbach, I.; Tillmanns, E.; Langer, K.; Seifert, F.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 81–113; doi:

data_8103520
_publ_section_title
;
 The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites
 (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)):
 crystal structure, Moessbauer and polarized optical absorption spectra
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              81
_journal_page_last               113
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'Al1.92 Fe0.057 Mn0.023 O5 Si'
_chemical_name_systematic        'Al1.920 Mn0.023 Fe0.057 (O (Si O4))'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.81
_cell_length_b                   7.915
_cell_length_c                   5.57
_cell_volume                     344.316
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Abs-Wurmbach_ZEKRDZ_1981_302.cif
_cod_data_source_block           Al1.92Fe0.057Mn0.023O5Si1
_cod_original_cell_volume        344.3159
_cod_original_formula_sum        'Al1.92 Fe0.057 Mn0.023 O5 Si1'
_cod_database_code               8103520
The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra
Abs-Wurmbach, I.; Langer, K.; Tillmanns, E.; Seifert, F.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 81–113; doi:

data_8103521
_publ_section_title
;
 The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites
 (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)):
 crystal structure, Moessbauer and polarized optical absorption spectra
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              81
_journal_page_last               113
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'Al1.756 Fe0.062 Mn0.182 O5 Si'
_chemical_name_systematic        'Al1.756 Mn0.182 Fe0.062 (O (Si O4))'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.842
_cell_length_b                   7.94
_cell_length_c                   5.582
_cell_volume                     347.566
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Abs-Wurmbach_ZEKRDZ_1981_303.cif
_cod_data_source_block           Al1.756Fe0.062Mn0.182O5Si1
_cod_original_cell_volume        347.5659
_cod_original_formula_sum        'Al1.756 Fe0.062 Mn0.182 O5 Si1'
_cod_database_code               8103521
The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra
Abs-Wurmbach, I.; Langer, K.; Seifert, F.; Tillmanns, E.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 81–113; doi:

data_8103522
_publ_section_title
;
 The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites
 (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)):
 crystal structure, Moessbauer and polarized optical absorption spectra
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              81
_journal_page_last               113
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'Al1.562 Fe0.096 Mn0.342 O5 Si'
_chemical_name_systematic        'Al1.562 Mn0.342 Fe0.096 (O (Si O4))'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.891
_cell_length_b                   7.988
_cell_length_c                   5.603
_cell_volume                     353.176
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Abs-Wurmbach_ZEKRDZ_1981_304.cif
_cod_data_source_block           Al1.562Fe0.096Mn0.342O5Si1
_cod_original_cell_volume        353.1756
_cod_original_formula_sum        'Al1.562 Fe0.096 Mn0.342 O5 Si1'
_cod_database_code               8103522
The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)): crystal structure, Moessbauer and polarized optical absorption spectra
Abs-Wurmbach, I.; Langer, K.; Seifert, F.; Tillmanns, E.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 81–113; doi:

data_8103523
_publ_section_title
;
 The crystal chemistry of (Mn(3+),Fe(3+))-substituted Andalusites
 (Viridines and Kanonaite), (Al(1-x-y) Mn(3+)x Fe(3+)y (O (Si O4)):
 crystal structure, Moessbauer and polarized optical absorption spectra
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              81
_journal_page_last               113
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'Al1.302 Fe0.018 Mn0.68 O5 Si'
_chemical_name_systematic        'Al1.302 Mn0.680 Fe0.018 (O (Si O4))'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.961
_cell_length_b                   8.053
_cell_length_c                   5.616
_cell_volume                     360.041
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Abs-Wurmbach_ZEKRDZ_1981_305.cif
_cod_data_source_block           Al1.302Fe0.018Mn0.68O5Si1
_cod_original_cell_volume        360.0414
_cod_original_formula_sum        'Al1.302 Fe0.018 Mn0.68 O5 Si1'
_cod_database_code               8103523
Compounds of uranium with the transition metals of the first long period
Baenziger, N.C.; Wilson, A.S.; Snow, A.I.; Rundle, R.E.; Acta Crystallographica (1,1948-23,1967) 3 (1950) 34–40; doi:

data_2310165
_publ_section_title
;
 Compounds of uranium with the transition metals of the first long period
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              34
_journal_page_last               40
_journal_volume                  3
_journal_year                    1950
_chemical_formula_sum            'Ni U6'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.37
_cell_length_b                   10.37
_cell_length_c                   5.21
_cell_volume                     560.267
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Baenziger_ACCRA9_1950_1558.cif
_cod_data_source_block           Ni1U6
_cod_original_cell_volume        560.2672
_cod_original_formula_sum        'Ni1 U6'
_cod_database_code               2310165
Compounds of uranium with the transition metals of the first long period
Baenziger, N.C.; Rundle, R.E.; Wilson, A.S.; Snow, A.I.; Acta Crystallographica (1,1948-23,1967) 3 (1950) 34–40; doi:

data_2310166
_publ_section_title
;
 Compounds of uranium with the transition metals of the first long period
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              34
_journal_page_last               40
_journal_volume                  3
_journal_year                    1950
_chemical_formula_sum            'Ni2 U'
_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            4
_cell_length_a                   4.966
_cell_length_b                   4.966
_cell_length_c                   8.252
_cell_volume                     176.240
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Baenziger_ACCRA9_1950_1559.cif
_cod_data_source_block           Ni2U1
_cod_original_cell_volume        176.2395
_cod_original_formula_sum        'Ni2 U1'
_cod_database_code               2310166
Gadolinium and dysprosium intermetallic phases. II. Laves phases and other structure types
Baenziger, N.C.; Moriarty, J.L.jr.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 948–950; doi:

data_2310167
_publ_section_title
;
 Gadolinium and dysprosium intermetallic phases. II. Laves phases and
 other structure types
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              948
_journal_page_last               950
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Gd In'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.83
_cell_length_b                   3.83
_cell_length_c                   3.83
_cell_volume                     56.182
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Baenziger_ACCRA9_1961_423.cif
_cod_data_source_block           Gd1In1
_cod_original_cell_volume        56.18188
_cod_original_formula_sum        'Gd1 In1'
_cod_database_code               2310167
Gadolinium and dysprosium intermetallic phases. I. The crystal of Dy Ga and Gd Pt and their related compounds
Baenziger, N.C.; Moriarty, J.L.jr.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 946–947; doi:

data_2310168
_publ_section_title
;
 Gadolinium and dysprosium intermetallic phases. I. The crystal of Dy Ga
 and Gd Pt and their related compounds
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              946
_journal_page_last               947
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Gd Pt'
_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            4
_cell_length_a                   7.164
_cell_length_b                   4.458
_cell_length_c                   5.574
_cell_volume                     178.017
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Baenziger_ACCRA9_1961_479.cif
_cod_data_source_block           Gd1Pt1
_cod_original_cell_volume        178.0175
_cod_original_formula_sum        'Gd1 Pt1'
_cod_database_code               2310168
The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F
Bartlett, N.; Wechsberg, M.; Jones, G.R.; Burbank, R.D.; Inorganic Chemistry 11 (1972) 1124–1127; doi:

data_4343598
_publ_section_title
;
 The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1124
_journal_page_last               1127
_journal_volume                  11
_journal_year                    1972
_chemical_formula_sum            'F2 O3 S Xe'
_chemical_name_systematic        'Xe F (S O3 F)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.88
_cell_length_b                   10
_cell_length_c                   10.13
_cell_volume                     1000.844
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bartlett_INOCAJ_1972_9.cif
_cod_data_source_block           F2O3S1Xe1
_cod_original_formula_sum        'F2 O3 S1 Xe1'
_cod_database_code               4343598
How to avoid unneccessarily low symmetry in crystal structure determinations
Baur, W.H.; Tillmanns, E.; Acta Crystallographica B (39,1983-) 42 (1986) 95–111; doi:

data_2106074
_publ_section_title
;
 How to avoid unneccessarily low symmetry in crystal structure
 determinations
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              95
_journal_page_last               111
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Ag3 H2 O10 P3'
_chemical_name_systematic        'Ag3 (P3 O9) (H2 O)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.326
_cell_length_b                   10.925
_cell_length_c                   9.276
_cell_volume                     906.180
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Baur_ASBSDK_1986_1544.cif
_cod_data_source_block           H2Ag3O10P3
_cod_original_cell_volume        906.1802
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_original_formula_sum        'H2 Ag3 O10 P3'
_cod_database_code               2106074
How to avoid unneccessarily low symmetry in crystal structure determinations
Baur, W.H.; Tillmanns, E.; Acta Crystallographica B (39,1983-) 42 (1986) 95–111; doi:

data_2106075
_publ_section_title
;
 How to avoid unneccessarily low symmetry in crystal structure
 determinations
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              95
_journal_page_last               111
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Ca H8 O7 S'
_chemical_name_systematic        'Ca (S O3) (H2 O)4'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   11.192
_cell_length_b                   11.192
_cell_length_c                   28.36
_cell_volume                     3076.467
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Baur_ASBSDK_1986_1545.cif
_cod_data_source_block           H8Ca1O7S1
_cod_original_formula_sum        'H8 Ca1 O7 S1'
_cod_database_code               2106075
Die Kristallstruktur des Iodnitren-Komplexes Cl3 V N I
Beindorf, G.; Straehle, J.; Liebelt, W.; Weller, F.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 153–156; doi:

data_7221105
_publ_section_title
;
 Die Kristallstruktur des Iodnitren-Komplexes Cl3 V N I
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              153
_journal_page_last               156
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Cl3 I N V'
_chemical_name_systematic        'V N I Cl3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.09
_cell_angle_beta                 93.61
_cell_angle_gamma                112.71
_cell_formula_units_Z            2
_cell_length_a                   8.174
_cell_length_b                   8.041
_cell_length_c                   5.934
_cell_volume                     310.112
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Beindorf_ZNBAD2_1980_929.cif
_cod_data_source_block           Cl3I1N1V1
_cod_original_cell_volume        310.1122
_cod_original_formula_sum        'Cl3 I1 N1 V1'
_cod_database_code               7221105
The structure determination of a new intermetallic compound K3 Ga13
Belin, C.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1339–1343; doi:

data_2106076
_publ_section_title
;
 The structure determination of a new intermetallic compound K3 Ga13
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1339
_journal_page_last               1343
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Ga13 K3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.441
_cell_length_b                   16.143
_cell_length_c                   28.404
_cell_volume                     2953.364
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Belin_ACBCAR_1980_130.cif
_cod_data_source_block           Ga13K3
_cod_database_code               2106076
Synthesis and structure determination of the new intermetallic compound Rb Ga7
Belin, C.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 2060–2062; doi:

data_2106077
_publ_section_title
;
 Synthesis and structure determination of the new intermetallic compound
 Rb Ga7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2060
_journal_page_last               2062
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ga7 Rb'
_space_group_IT_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                 111.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.432
_cell_length_b                   6.603
_cell_length_c                   10.259
_cell_volume                     718.773
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Belin_ACBCAR_1981_337.cif
_cod_data_source_block           Ga7Rb1
_cod_original_cell_volume        718.7735
_cod_original_formula_sum        'Ga7 Rb1'
_cod_database_code               2106077
Structure d'un tellurate d'ammonium: N H4 Te O3 (O H)
Benmiloud, L.; Moret, J.; Maurin, M.; Philippot, E.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 139–141; doi:

data_2106078
_publ_section_title
;
 Structure d'un tellurate d'ammonium: N H4 Te O3 (O H)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              139
_journal_page_last               141
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'H5 N O4 Te'
_chemical_name_systematic        'N H4 Te O3 (O H)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                123.27
_cell_angle_beta                 111.79
_cell_angle_gamma                70.85
_cell_formula_units_Z            2
_cell_length_a                   5.149
_cell_length_b                   7.095
_cell_length_c                   7.349
_cell_volume                     205.739
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Benmiloud_ACBCAR_1980_733.cif
_cod_data_source_block           H5N1O4Te1
_cod_original_cell_volume        205.7387
_cod_original_formula_sum        'H5 N1 O4 Te1'
_cod_database_code               2106078
Unit-cell dimensions of Ni-Pd alloys at 25 and 900 degr. C
Bidwell, L.R.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 1473–1474; doi:

data_2310169
_publ_section_title
;
 Unit-cell dimensions of Ni-Pd alloys at 25 and 900 degr. C
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1473
_journal_page_last               1474
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Ni0.52 Pd0.48'
_chemical_name_systematic        '(Ni0.52 Pd0.48)'
_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                   3.73
_cell_length_b                   3.73
_cell_length_c                   3.73
_cell_volume                     51.895
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bidwell_ACCRA9_1964_1454.cif
_cod_data_source_block           Ni0.52Pd0.48
_cod_original_cell_volume        51.89512
_cod_database_code               2310169
Na10 Ga6 Sn3, eine Verbindung an der Zintl-Grenze
Blase, W.; Cordier, G.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 44 (1989) 1479–1482; doi:

data_7221106
_publ_section_title
;
 Na10 Ga6 Sn3, eine Verbindung an der Zintl-Grenze
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1479
_journal_page_last               1482
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'Ga6 Na10 Sn3'
_space_group_IT_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                   14.576
_cell_length_b                   14.576
_cell_length_c                   8.976
_cell_volume                     1907.039
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Blase_ZNBSEN_1989_235.cif
_cod_data_source_block           Ga6Na10Sn3
_cod_database_code               7221106