LMucko/crystallography-open-database huggingface dataset:
On the formation and structure of cadmium peroxides
Vannerberg, N.G.; Arkiv foer Kemi 10 (1956) 455–459; doi:

data_1539433
_publ_section_title
;
 On the formation and structure of cadmium peroxides
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              455
_journal_page_last               459
_journal_volume                  10
_journal_year                    1956
_chemical_formula_sum            'Cd H0.24 O2'
_chemical_name_systematic        'Cd (O2).88 (O H).24'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.273
_cell_length_b                   5.273
_cell_length_c                   5.273
_cell_volume                     146.613
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1956_255.cif
_cod_data_source_block           H0.24Cd1O2
_cod_original_cell_volume        146.6133
_cod_original_formula_sum        'H0.24 Cd1 O2'
_cod_database_code               1539433
Crystal structure and magnetic properties of RE Me2 Si2 compounds (RE = Gd, Dy, Ho, Er; Me = Ru, Rh, Pd, Ir)
Slaski, M.; Szytula, A.; Journal of the Less-Common Metals 87 (1982) L1–L3; doi:

data_1539434
_publ_section_title
;
 Crystal structure and magnetic properties of RE Me2 Si2 compounds (RE =
 Gd, Dy, Ho, Er; Me = Ru, Rh, Pd, Ir)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              L1
_journal_page_last               L3
_journal_volume                  87
_journal_year                    1982
_chemical_formula_sum            'Ho Ru2 Si2'
_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                   4.124
_cell_length_b                   4.124
_cell_length_c                   9.506
_cell_volume                     161.672
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Slaski_JCOMAH_1982_203.cif
_cod_data_source_block           Ho1Ru2Si2
_cod_original_cell_volume        161.6721
_cod_original_formula_sum        'Ho1 Ru2 Si2'
_cod_database_code               1539434
Crystal structural study by Rietveld method
Achiwa, N.; Kyoto Daigaku Genshiro Jikkensho 1988 (1988) 9–15; doi:

data_1539435
_publ_section_title
;
 Crystal structural study by Rietveld method
;
_journal_name_full               'Kyoto Daigaku Genshiro Jikkensho'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Ba2.6 Cu3.3 La1.3 O7.6'
_chemical_name_systematic        'La1.3 Ba2.6 Cu3.3 O7.6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.903
_cell_length_b                   3.903
_cell_length_c                   11.7216
_cell_volume                     178.560
_citation_journal_id_ASTM        KDGHDH
_cod_data_source_file            Achiwa_KDGHDH_1988_1336.cif
_cod_data_source_block           Ba2.6Cu3.3La1.3O7.6
_cod_original_cell_volume        178.5599
_cod_database_code               1539435
Anomalous thermodynamic, transport and Moessbauer properties of U Ni Sn: A half-metallic system
Yuen, T.; Bykovetz, N.; Lin, C.L.; Pernambuco-Wise, P.; Schlottmann, P.; Crow, J.E.; Physik (Berlin) 171 (1991) 362–366; doi:

data_1539436
_publ_section_title
;
 Anomalous thermodynamic, transport and Moessbauer properties of U Ni Sn:
 A half-metallic system
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              362
_journal_page_last               366
_journal_volume                  171
_journal_year                    1991
_chemical_formula_sum            'Ni Sn U'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.39
_cell_length_b                   6.39
_cell_length_c                   6.39
_cell_volume                     260.917
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Yuen_PHYBE3_1991_1085.cif
_cod_data_source_block           Ni1Sn1U1
_cod_original_cell_volume        260.9171
_cod_original_formula_sum        'Ni1 Sn1 U1'
_cod_database_code               1539436
On the system (Sr O2) (H2 O) (H2 O2) I. The Crystal Structure of alpha- and beta-Sr O2 (H2 O2)2
Vannerberg, N.G.; Arkiv foer Kemi 13 (1958) 29–41; doi:

data_1539437
_publ_section_title
;
 On the system (Sr O2) (H2 O) (H2 O2) I. The Crystal Structure of alpha-
 and beta-Sr O2 (H2 O2)2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              29
_journal_page_last               41
_journal_volume                  13
_journal_year                    1958
_chemical_formula_sum            'H4 O6 Sr'
_chemical_name_systematic        'Sr O2 (H2 O2)2'
_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                 79.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.262
_cell_length_b                   6.024
_cell_length_c                   8.05
_cell_volume                     393.904
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1958_256.cif
_cod_data_source_block           H4O6Sr1
_cod_original_cell_volume        393.9036
_cod_original_formula_sum        'H4 O6 Sr1'
_cod_database_code               1539437
The Se-Te-U system
Slovyanskikh, V.K.; Rozanov, I.A.; Gracheva, N.V.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 21 (1976) 1383–1386; doi:

data_4031685
_publ_section_title
;
 The Se-Te-U system
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1383
_journal_page_last               1386
_journal_volume                  21
_journal_year                    1976
_chemical_formula_sum            'Se2 Te2 U3'
_chemical_name_systematic        'U3 Se2 Te2'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.15
_cell_length_b                   9.15
_cell_length_c                   9.15
_cell_volume                     766.061
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Slovyanskikh_RJICAQ_1976_1929.cif
_cod_data_source_block           Se2Te2U3
_cod_original_cell_volume        766.0608
_cod_database_code               4031685
Crystal structural study by Rietveld method
Achiwa, N.; Kyoto Daigaku Genshiro Jikkensho 1988 (1988) 9–15; doi:

data_1539438
_publ_section_title
;
 Crystal structural study by Rietveld method
;
_journal_name_full               'Kyoto Daigaku Genshiro Jikkensho'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Ba2.6 Cu2.9 La0.9 O8.4'
_chemical_name_systematic        'La0.9 Ba2.6 Cu2.9 O8.4'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9027
_cell_length_b                   3.9027
_cell_length_c                   11.733
_cell_volume                     178.706
_citation_journal_id_ASTM        KDGHDH
_cod_data_source_file            Achiwa_KDGHDH_1988_1337.cif
_cod_data_source_block           Ba2.6Cu2.9La0.9O8.4
_cod_original_cell_volume        178.7061
_cod_database_code               1539438
Magnetic susceptibility, electrical resistivity and thermal expansion coefficient of NiAs-type V1-x Crx Se
Yuri, S.; Anzai, S.; Ohta, S.; Aikawa, M.; Hatakeyama, K.; Journal of Magnetism and Magnetic Materials 70 (1987) 215–217; doi:

data_1539439
_publ_section_title
;
 Magnetic susceptibility, electrical resistivity and thermal expansion
 coefficient of NiAs-type V1-x Crx Se
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              215
_journal_page_last               217
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'Se V'
_chemical_name_systematic        'V Se'
_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                   3.66
_cell_length_b                   3.66
_cell_length_c                   5.988
_cell_volume                     69.466
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Yuri_JMMMDC_1987_1963.cif
_cod_data_source_block           Se1V1
_cod_original_cell_volume        69.46637
_cod_original_formula_sum        'Se1 V1'
_cod_database_code               1539439
On the system (Sr O2) (H2 O) (H2 O2) I. The crystal structure of alpha- and beta-Sr O2 (H2 O2)2
Vannerberg, N.G.; Arkiv foer Kemi 13 (1958) 29–41; doi:

data_1539440
_publ_section_title
;
 On the system (Sr O2) (H2 O) (H2 O2) I. The crystal structure of alpha-
 and beta-Sr O2 (H2 O2)2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              29
_journal_page_last               41
_journal_volume                  13
_journal_year                    1958
_chemical_formula_sum            'H4 O6 Sr'
_chemical_name_systematic        'Sr O2 (H2 O2)2'
_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                 86.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.715
_cell_length_b                   8.754
_cell_length_c                   6.015
_cell_volume                     405.403
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1958_257.cif
_cod_data_source_block           H4O6Sr1
_cod_original_cell_volume        405.4026
_cod_original_formula_sum        'H4 O6 Sr1'
_cod_database_code               1539440
The Se-Te-U system
Slovyanskikh, V.K.; Rozanov, I.A.; Gracheva, N.V.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 21 (1976) 1383–1386; doi:

data_4031686
_publ_section_title
;
 The Se-Te-U system
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1383
_journal_page_last               1386
_journal_volume                  21
_journal_year                    1976
_chemical_formula_sum            'Se4 U3'
_chemical_name_systematic        'U3 Se4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8
_cell_length_b                   8.8
_cell_length_c                   8.8
_cell_volume                     681.472
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Slovyanskikh_RJICAQ_1976_1958.cif
_cod_data_source_block           Se4U3
_cod_database_code               4031686
Crystal structural study by Rietveld method
Achiwa, N.; Kyoto Daigaku Genshiro Jikkensho 1988 (1988) 9–15; doi:

data_1539441
_publ_section_title
;
 Crystal structural study by Rietveld method
;
_journal_name_full               'Kyoto Daigaku Genshiro Jikkensho'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Ba2.8 Cu3.5 La O9'
_chemical_name_systematic        'La Ba2.8 Cu3.5 O9'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.914
_cell_length_b                   3.914
_cell_length_c                   11.7194
_cell_volume                     179.534
_citation_journal_id_ASTM        KDGHDH
_cod_data_source_file            Achiwa_KDGHDH_1988_1338.cif
_cod_data_source_block           Ba2.8Cu3.5La1O9
_cod_original_cell_volume        179.5341
_cod_original_formula_sum        'Ba2.8 Cu3.5 La1 O9'
_cod_database_code               1539441
Crystal chemical studies of the 5f-series of elements. VII. The crystal structure of Ce~2~O~2~S, La~2~O~2~S and Pu~2~O~2~S
Zachariasen, W. H.; Acta Crystallographica 2 (1949) 60–62; doi:10.1107/S0365110X49000138

data_2310990
_publ_section_title
;
 Crystal chemical studies of the 5f-series of elements. VII. The crystal
 structure of Ce~2~O~2~S, La~2~O~2~S and Pu~2~O~2~S
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   1
_journal_name_full               'Acta Crystallographica'
_journal_page_first              60
_journal_page_last               62
_journal_paper_doi               10.1107/S0365110X49000138
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'O2 Pu2 S'
_chemical_name_systematic        'Pu2 O2 S'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.927
_cell_length_b                   3.927
_cell_length_c                   6.789
_cell_volume                     97.293
_diffrn_radiation_type           'Cu K\a'
_cod_data_source_file            Zachariasen_ACCRA9_1949_1170.cif
_cod_data_source_block           O2Pu2S1
_cod_depositor_comments
;
 The cell length constants given in the CIF do not match the ones reported
 in the original publication. In the orginal publication the cell lengths
 were given in kX units (a = b = 3.919(3), c = 6.755(1)), but even after
 the conversion to Angtroems with factor 1.00202 the values did not match
 the ones provided in the CIF. The old cell length values
 (a = b = 4.038, c = 6.89) values were replaced with the newly calculated
 values (a = b = 3.927, c = 6.789).

 Antanas Vaitkus,
 2016-04-05
;
_cod_original_cell_volume        97.29321
_cod_original_formula_sum        'O2 Pu2 S1'
_cod_database_code               2310990
Formation and structure of mercuric peroxides
Vannerberg, N.G.; Arkiv foer Kemi 13 (1959) 515–521; doi:

data_1539442
_publ_section_title
;
 Formation and structure of mercuric peroxides
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              515
_journal_page_last               521
_journal_volume                  13
_journal_year                    1959
_chemical_formula_sum            'Hg O2'
_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            4
_cell_length_a                   6.08
_cell_length_b                   6.01
_cell_length_c                   4.8
_cell_volume                     175.396
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1959_264.cif
_cod_data_source_block           Hg1O2
_cod_original_cell_volume        175.3959
_cod_original_formula_sum        'Hg1 O2'
_cod_database_code               1539442
The Pr-S-U System
Slovyanskikh, V.K.; Kuznetsov, N.T.; Gracheva, N.V.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 24 (1979) 1729–1731; doi:

data_4031687
_publ_section_title
;
 The Pr-S-U System
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1729
_journal_page_last               1731
_journal_volume                  24
_journal_year                    1979
_chemical_formula_sum            'Pr S2 U'
_chemical_name_systematic        'Pr U S2'
_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                   5.6
_cell_length_b                   5.6
_cell_length_c                   5.6
_cell_volume                     175.616
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Slovyanskikh_RJICAQ_1979_1473.cif
_cod_data_source_block           Pr1S2U1
_cod_original_formula_sum        'Pr1 S2 U1'
_cod_database_code               4031687
Crystal structural study by Rietveld method
Achiwa, N.; Kyoto Daigaku Genshiro Jikkensho 1988 (1988) 9–15; doi:

data_1539443
_publ_section_title
;
 Crystal structural study by Rietveld method
;
_journal_name_full               'Kyoto Daigaku Genshiro Jikkensho'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Ba2.6 Cu3.3 La O8.2'
_chemical_name_systematic        'La Ba2.6 Cu3.3 O8.2'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9119
_cell_length_b                   3.9119
_cell_length_c                   11.6762
_cell_volume                     178.680
_citation_journal_id_ASTM        KDGHDH
_cod_data_source_file            Achiwa_KDGHDH_1988_1339.cif
_cod_data_source_block           Ba2.6Cu3.3La1O8.2
_cod_original_cell_volume        178.6805
_cod_original_formula_sum        'Ba2.6 Cu3.3 La1 O8.2'
_cod_database_code               1539443
Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides
Zachariasen, W. H.; Acta Crystallographica 2 (1949) 291–296; doi:10.1107/s0365110x49000758

data_2310991
_publ_section_title
;
 Crystal chemical studies of the 5f-series of elements. X. Sulfides and
 oxy-sulfides
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   5
_journal_name_full               'Acta Crystallographica'
_journal_page_first              291
_journal_page_last               296
_journal_paper_doi               10.1107/s0365110x49000758
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'S3 Th2'
_chemical_name_systematic        'Th2 S3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.411
_cell_length_b                   10.651
_cell_length_c                   3.888
_cell_volume                     431.131
_cod_data_source_file            Zachariasen_ACCRA9_1949_1776.cif
_cod_data_source_block           S3Th2
_cod_original_cell_volume        431.1309
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               2310991
On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2
Vannerberg, N.G.; Arkiv foer Kemi 14 (1959) 125–145; doi:

data_1539444
_publ_section_title
;
 On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-,
 beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              125
_journal_page_last               145
_journal_volume                  14
_journal_year                    1959
_chemical_formula_sum            'Ba H4 O6'
_chemical_name_systematic        'Ba O2 (H2 O2)2'
_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                 96.53
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.454
_cell_length_b                   6.398
_cell_length_c                   8.084
_cell_volume                     434.416
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1959_265.cif
_cod_data_source_block           H4Ba1O6
_cod_original_cell_volume        434.4163
_cod_original_formula_sum        'H4 Ba1 O6'
_cod_database_code               1539444
The mixed sulphides NbUS3 and TaUS3
Slovyanskikh, V.K.; Kuznetsov, N.T.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 29 (1984) 1088–1089; doi:

data_4031688
_publ_section_title
;
 The mixed sulphides NbUS3 and TaUS3
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1088
_journal_page_last               1089
_journal_volume                  29
_journal_year                    1984
_chemical_formula_sum            'Nb S'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.35
_cell_length_b                   3.35
_cell_length_c                   3.2
_cell_volume                     31.101
_citation_journal_id_ASTM        RJICAQ
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