LMucko/crystallography-open-database huggingface dataset:
Indium perovskite-like phases: synthesis, crystal structure, refinement and properties
Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 42 (2001) 1157–1173; doi:

data_1531059
_publ_section_title
;
 Indium perovskite-like phases: synthesis, crystal structure, refinement
 and properties
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              1157
_journal_page_last               1173
_journal_volume                  42
_journal_year                    2001
_chemical_formula_sum            'Ce0.05 Cu2.13 Ho2.43 In0.87 O9 Sr1.52'
_chemical_name_systematic
;
(In0.87 Cu0.13) (Sr1.52 Ho0.48) (Ho1.95 Ce0.05) Cu2 O9
;
_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                   3.8254
_cell_length_b                   3.8254
_cell_length_c                   29.0557
_cell_volume                     425.192
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Afanaseva_ZSTKAI_2001_647.cif
_cod_data_source_block           Ce0.05Cu2.13Ho2.43In0.87O9Sr1.52
_cod_database_code               1531059
Study of the structure of Y Ba2 Cu3 O7-d superconductor at d=0.03 by neutron diffraction
Ahmed, F.U.; Azad, A.K.; Zakaria, A.K.M.; Datta, T.K.; Yunus, S.M.; Kamal, I.; Journal of Bangladesh Academy of Sciences 26 (2002) 29–38; doi:

data_1531060
_publ_section_title
;
 Study of the structure of Y Ba2 Cu3 O7-d superconductor at d=0.03 by
 neutron diffraction
;
_journal_name_full               'Journal of Bangladesh Academy of Sciences'
_journal_page_first              29
_journal_page_last               38
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'Ba2 Cu3 O6.97 Y'
_chemical_name_systematic        'Y Ba2 Cu3 O6.97'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8163
_cell_length_b                   3.8659
_cell_length_c                   11.6531
_cell_volume                     171.923
_citation_journal_id_ASTM        JBACDF
_cod_data_source_file            Ahmed_JBACDF_2002_1942.cif
_cod_data_source_block           Ba2Cu3O6.97Y1
_cod_original_cell_volume        171.9232
_cod_original_formula_sum        'Ba2 Cu3 O6.97 Y1'
_cod_database_code               1531060
On synthesis, structure and thermal stability of mercury and lead sulfates and oxide sulfates
Ahmed, M.A.K.; Fjellvag, H.; Kjekshus, A.; Thermochimica Acta 390 (2002) 113–121; doi:

data_1531061
_publ_section_title
;
 On synthesis, structure and thermal stability of mercury and lead
 sulfates and oxide sulfates
;
_journal_name_full               'Thermochimica Acta'
_journal_page_first              113
_journal_page_last               121
_journal_volume                  390
_journal_year                    2002
_chemical_formula_sum            'Hg3 O6 S'
_chemical_name_systematic        'Hg3 O2 (S O4)'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.048
_cell_length_b                   7.048
_cell_length_c                   10.0194
_cell_volume                     431.027
_citation_journal_id_ASTM        THACAS
_cod_data_source_file            Ahmed_THACAS_2002_1760.cif
_cod_data_source_block           Hg3O6S1
_cod_original_cell_volume        431.0266
_cod_original_formula_sum        'Hg3 O6 S1'
_cod_database_code               1531061
Staged fluorine insertion into manganese oxides with Ruddlesden- Popper structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F
Aikens, L.D.; Gillie, L.J.; Li, R.-K.; Greaves, C.; Journal of Materials Chemistry 12 (2002) 264–267; doi:

data_7222157
_publ_section_title
;
 Staged fluorine insertion into manganese oxides with Ruddlesden- Popper
 structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              264
_journal_page_last               267
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'F La Mn O4 Sr'
_chemical_name_systematic        'La Sr (Mn O4) F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.77696
_cell_length_b                   3.77696
_cell_length_c                   14.1026
_cell_volume                     201.180
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Aikens_JMACEP_2002_612.cif
_cod_data_source_block           F1La1Mn1O4Sr1
_cod_original_cell_volume        201.1796
_cod_original_formula_sum        'F1 La1 Mn1 O4 Sr1'
_cod_database_code               7222157
Staged fluorine insertion into manganese oxides with Ruddlesden- Popper structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F
Aikens, L.D.; Gillie, L.J.; Li, R.-K.; Greaves, C.; Journal of Materials Chemistry 12 (2002) 264–267; doi:

data_7222158
_publ_section_title
;
 Staged fluorine insertion into manganese oxides with Ruddlesden- Popper
 structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              264
_journal_page_last               267
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'F La1.2 Mn2 O7 Sr1.8'
_chemical_name_systematic        '(La1.2 Sr1.8) (Mn2 O7) F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8103
_cell_length_b                   3.8103
_cell_length_c                   21.722
_cell_volume                     315.368
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Aikens_JMACEP_2002_613.cif
_cod_data_source_block           F1La1.2Mn2O7Sr1.8
_cod_original_cell_volume        315.3684
_cod_original_formula_sum        'F1 La1.2 Mn2 O7 Sr1.8'
_cod_database_code               7222158
Effect of outer sphere anions on the structure and color of nitrosylpentaamminechromium complex
Akashi, H.; Nishiura, M.; Shibahara, T.; Mori, M.; Inorganica Chimica Acta 331 (2002) 290–295; doi:

data_1531062
_publ_section_title
;
 Effect of outer sphere anions on the structure and color of
 nitrosylpentaamminechromium complex
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  331
_journal_year                    2002
_chemical_formula_sum            'Cl2 Cr H15 N6 O'
_chemical_name_systematic        '(Cr (N O) (N H3)5) Cl2'
_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            4
_cell_length_a                   10.0236
_cell_length_b                   9.098
_cell_length_c                   10.357
_cell_volume                     944.504
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Akashi_ICHAA3_2002_288.cif
_cod_data_source_block           H15Cl2Cr1N6O1
_cod_original_cell_volume        944.5036
_cod_original_formula_sum        'H15 Cl2 Cr1 N6 O1'
_cod_database_code               1531062
Effect of outer sphere anions on the structure and color of nitrosylpentaamminechromium complex
Akashi, H.; Nishiura, M.; Shibahara, T.; Mori, M.; Inorganica Chimica Acta 331 (2002) 290–295; doi:

data_1531063
_publ_section_title
;
 Effect of outer sphere anions on the structure and color of
 nitrosylpentaamminechromium complex
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  331
_journal_year                    2002
_chemical_formula_sum            'Cl2 Cr H12 N6 O5'
_chemical_name_systematic        '(Cr (N O) (N H3)5) Cl (Cl O4)'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.6986
_cell_length_b                   7.6986
_cell_length_c                   9.9566
_cell_volume                     590.112
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Akashi_ICHAA3_2002_289.cif
_cod_data_source_block           Cl2Cr1H12N6O5
_cod_original_cell_volume        590.1122
_cod_original_formula_sum        'Cl2 Cr1 H12 N6 O5'
_cod_database_code               1531063
Effect of outer sphere anions on the structure and color of nitrosylpentaamminechromium complex
Akashi, H.; Nishiura, M.; Mori, M.; Shibahara, T.; Inorganica Chimica Acta 331 (2002) 290–295; doi:

data_1531064
_publ_section_title
;
 Effect of outer sphere anions on the structure and color of
 nitrosylpentaamminechromium complex
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  331
_journal_year                    2002
_chemical_formula_sum            'Cl2 Cr N4 O9.0016'
_chemical_name_systematic        '(Cr (N O) (N H3)5) (Cl O4)2'
_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                   15.76
_cell_length_b                   11.48
_cell_length_c                   7.92
_cell_volume                     1432.924
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Akashi_ICHAA3_2002_290.cif
_cod_data_source_block           Cl2Cr1N4O9.0016
_cod_original_formula_sum        'Cl2 Cr1 N4 O9.0016'
_cod_database_code               1531064
A new anion conductive bismuth-vanadium oxyfluoride
Akopjan, A.V.; Serov, T.V.; Ardashnikova, E.I.; Dolgikh, V.A.; Lightfoot, P.; Journal of Materials Chemistry 12 (2002) 1490–1494; doi:

data_7222159
_publ_section_title
;
 A new anion conductive bismuth-vanadium oxyfluoride
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1490
_journal_page_last               1494
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Bi2 F O5 V'
_chemical_name_systematic        'Bi2 V O5 F'
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.86042
_cell_length_b                   3.86042
_cell_length_c                   15.6834
_cell_volume                     233.727
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Akopjan_JMACEP_2002_705.cif
_cod_data_source_block           Bi2F1O5V1
_cod_original_cell_volume        233.7272
_cod_original_formula_sum        'Bi2 F1 O5 V1'
_cod_database_code               7222159
Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations
Albe, K.; Weirich, T. E.; Acta Crystallographica Section A 59 (2003) 18–21; doi:10.1107/S0108767302018275

data_2310708
_publ_section_title
;
 Structure and stability of \a- and \b-Ti~2~Se. Electron diffraction
 versus density-functional theory calculations
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              18
_journal_page_last               21
_journal_paper_doi               10.1107/S0108767302018275
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'Se Ti2'
_chemical_name_systematic        'Ti2 Se'
_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            12
_cell_length_a                   11.752
_cell_length_b                   14.534
_cell_length_c                   3.453
_cell_volume                     589.785
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Albe_ACACEQ_2003_1776.cif
_cod_data_source_block           Se1Ti2
_cod_original_cell_volume        589.7847
_cod_original_formula_sum        'Se1 Ti2'
_cod_database_code               2310708
Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations
Albe, K.; Weirich, T. E.; Acta Crystallographica Section A 59 (2003) 18–21; doi:10.1107/S0108767302018275

data_2310709
_publ_section_title
;
 Structure and stability of \a- and \b-Ti~2~Se. Electron diffraction
 versus density-functional theory calculations
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              18
_journal_page_last               21
_journal_paper_doi               10.1107/S0108767302018275
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'Se Ti2'
_chemical_name_systematic        'Ti2 Se'
_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            12
_cell_length_a                   17.923
_cell_length_b                   3.455
_cell_length_c                   9.517
_cell_volume                     589.330
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Albe_ACACEQ_2003_1777.cif
_cod_data_source_block           Se1Ti2
_cod_original_cell_volume        589.3304
_cod_original_formula_sum        'Se1 Ti2'
_cod_database_code               2310709
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta
Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Zanardi, S.; Vezzalini, G.; J. Phys. Chem. B 106 (2002) 10277–10284; doi:

data_1531065
_publ_section_title
;
 Crystal structure of tetragonal and monoclinic polytypes of
 tschernichite, the natural counterpart of synthetic zeolite beta
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              10277
_journal_page_last               10284
_journal_volume                  106
_journal_year                    2002
_chemical_formula_sum            'Al17.32 Ca5.376 O165.12 Si46.68'
_chemical_name_systematic        'Ca8.66 (Al17.32 Si46.68 O128) (H2 O)37.12'
_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                 114.31
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.983
_cell_length_b                   17.966
_cell_length_c                   14.625
_cell_volume                     4306.116
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Alberti_JPCBFK_2002_1978.cif
_cod_data_source_block           Al17.32Ca5.376O165.12Si46.68
_cod_database_code               1531065
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta
Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R.; J. Phys. Chem. B 106 (2002) 10277–10284; doi:

data_1531066
_publ_section_title
;
 Crystal structure of tetragonal and monoclinic polytypes of
 tschernichite, the natural counterpart of synthetic zeolite beta
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              10277
_journal_page_last               10284
_journal_volume                  106
_journal_year                    2002
_chemical_formula_sum
'Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04'
_chemical_name_systematic
'Ca4.84 Mg0.64 (Al10.96 Si53.04 O128) (H2 O)33.36'
_space_group_IT_number           91
_symmetry_space_group_name_Hall  'P 4w 2c'
_symmetry_space_group_name_H-M   'P 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.634
_cell_length_b                   12.634
_cell_length_c                   26.608
_cell_volume                     4247.115
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Alberti_JPCBFK_2002_1979.cif
_cod_data_source_block           H66.72Al10.96Ca4.84Mg0.64O161.36Si53.04
_cod_original_cell_volume        4247.114
_cod_original_formula_sum
'H66.72 Al10.96 Ca4.84 Mg0.64 O161.36 Si53.04'
_cod_database_code               1531066
Low-temperature phase transitions in the trigonal modification of Cs3 Bi2 Br9 and Cs3 Sb2 I9
Aleksandrova, I.P.; Burriel, R.; Bartolome, J.; Sukhovsky, A.A.; Bagautdinov, B.Sh.; Blasco, J.; Vasil'ev, A.D.; Solovyov, L.A.; Torres, J.M.; Phase Transition 75 (2002) 607–620; doi:

data_1531067
_publ_section_title
;
 Low-temperature phase transitions in the trigonal modification of Cs3 Bi2
 Br9 and Cs3 Sb2 I9
;
_journal_name_full               'Phase Transition'
_journal_page_first              607
_journal_page_last               620
_journal_volume                  75
_journal_year                    2002
_chemical_formula_sum            'Bi2 Br9 Cs3'
_chemical_name_systematic        'Cs3 Bi2 Br9'
_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                 89.53
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.675
_cell_length_b                   7.8593
_cell_length_c                   19.6321
_cell_volume                     2109.907
_citation_journal_id_ASTM        PHTRDP
_cod_data_source_file            Aleksandrova_PHTRDP_2002_1736.cif
_cod_data_source_block           Bi2Br9Cs3
_cod_database_code               1531067
Rietveld analysis of X-ray diffraction pattern from beta-(Ta2 O5) oxide
Aleshina, L.A.; Loginova, S.V.; Kristallografiya 47 (2002) 460–464; doi:

data_1531068
_publ_section_title
;
 Rietveld analysis of X-ray diffraction pattern from beta-(Ta2 O5) oxide
;
_journal_name_full               Kristallografiya
_journal_page_first              460
_journal_page_last               464
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'O5 Ta2'
_chemical_name_systematic        'Ta2 O5'
_space_group_IT_number           49
_symmetry_space_group_name_Hall  '-P 2 2c'
_symmetry_space_group_name_H-M   'P c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.217
_cell_length_b                   3.677
_cell_length_c                   7.794
_cell_volume                     178.170
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Aleshina_KRISAJ_2002_735.cif
_cod_data_source_block           O5Ta2
_cod_original_cell_volume        178.1701
_cod_database_code               1531068
Growth and crystal structure of the Be Al6 O10 single crystals
Alimpiev, A.I.; Solntsev, V.P.; Merkulov, A.A.; Tsvetkov, E.G.; Pestryakov, E.V.; Matrosov, V.N.; Journal of Crystal Growth 237 (2002) 884–889; doi:

data_1531069
_publ_section_title
;
 Growth and crystal structure of the Be Al6 O10 single crystals
;
_journal_name_full               'Journal of Crystal Growth'
_journal_page_first              884
_journal_page_last               889
_journal_volume                  237
_journal_year                    2002
_chemical_formula_sum            'Al6 Be O10'
_chemical_name_systematic        'Be (Al6 O10)'
_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                 90.026
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.924
_cell_length_b                   13.8123
_cell_length_c                   9.5483
_cell_volume                     1176.933
_citation_journal_id_ASTM        JCRGAE
_cod_data_source_file            Alimpiev_JCRGAE_2002_696.cif
_cod_data_source_block           Al6Be1O10
_cod_original_cell_volume        1176.932
_cod_original_formula_sum        'Al6 Be1 O10'
_cod_database_code               1531069
Comparison of the high-pressure and low-temperature structures of sulfuric acid
Allan, D.R.; Clark, S.J.; Dawson, A.; McGregor, P.; Parsons, S.; Journal of the Chemical Society. Dalton Transactions 2002 (2002) 1867–1871; doi:

data_7036538
_publ_section_title
;
 Comparison of the high-pressure and low-temperature structures of
 sulfuric acid
;
_journal_name_full
'Journal of the Chemical Society. Dalton Transactions'
_journal_page_first              1867
_journal_page_last               1871
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'H2 O4 S'
_chemical_name_systematic        'H2 (S O4)'
_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                 108.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.905
_cell_length_b                   4.591
_cell_length_c                   8.749
_cell_volume                     301.685
_citation_journal_id_ASTM        JCSDAA
_cod_data_source_file            Allan_JCSDAA_2002_697.cif
_cod_data_source_block           H2O4S1
_cod_original_cell_volume        301.6846
_cod_original_formula_sum        'H2 O4 S1'
_cod_database_code               7036538