LMucko/crystallography-open-database huggingface dataset:
Cubic structure of chromium-bromine boracite at 298 and 113 K
Yvon, K.; Yoshida, M.; Schmid, H.; Kubel, F.; Acta Crystallographica B (39,1983-) 48 (1992) 30–32; doi:

data_2105430
_publ_section_title
;
 Cubic structure of chromium-bromine boracite at 298 and 113 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              30
_journal_page_last               32
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B7 Br Cr3 O13'
_chemical_name_systematic        'Cr3 (B7 O13 Br)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.134
_cell_length_b                   12.134
_cell_length_c                   12.134
_cell_volume                     1786.537
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            boron4-x_306.cif
_cod_data_source_block           B7Br1Cr3O13
_cod_original_formula_sum        'B7 Br1 Cr3 O13'
_cod_database_code               2105430
Structural studies of boracites- VI. The cubic phase of cobalt iodine boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br
Nelmes, R.J.; Hay, W.J.; Journal of Physics C 14 (1981) 5247–5257; doi:10.1088/0022-3719/14/34/007

data_1511652
_publ_section_title
;
 Structural studies of boracites- VI. The cubic phase of cobalt iodine
 boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              5247
_journal_page_last               5257
_journal_paper_doi               10.1088/0022-3719/14/34/007
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'B7 Br Cu3 O13'
_chemical_name_systematic        'Cu3 (B7 O13 Br)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.955
_cell_length_b                   11.955
_cell_length_c                   11.955
_cell_volume                     1708.633
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            boron4-x_307.cif
_cod_data_source_block           B7Br1Cu3O13
_cod_original_formula_sum        'B7 Br1 Cu3 O13'
_cod_database_code               1511652
High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites
Crottaz, O.; Schmid, H.; Kubel, F.; Journal of Solid State Chemistry 120 (1995) 60–63; doi:10.1006/jssc.1995.1376

data_1511653
_publ_section_title
;
 High temperature single crystal X-ray diffraction: structure of cubic
 manganese iodine and manganese bromine boracites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              60
_journal_page_last               63
_journal_paper_doi               10.1006/jssc.1995.1376
_journal_volume                  120
_journal_year                    1995
_chemical_formula_sum            'B7 Br Mn3 O13'
_chemical_name_systematic        'Mn3 (Br B7 O13)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.31
_cell_length_b                   12.31
_cell_length_c                   12.31
_cell_volume                     1865.409
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_308.cif
_cod_data_source_block           B7Br1Mn3O13
_cod_original_cell_volume        1865.41
_cod_original_formula_sum        'B7 Br1 Mn3 O13'
_cod_database_code               1511653
Crystal structure of manganese bromine boracite, Mn3 B7 O13 Br
Kubel, F.; Crottaz, O.; Zeitschrift fuer Kristallographie (149,1979-) 211 (1996) 924–924; doi:

data_8103491
_publ_section_title
;
 Crystal structure of manganese bromine boracite, Mn3 B7 O13 Br
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              924
_journal_page_last               924
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'B7 Br Mn3 O13'
_chemical_name_systematic        'Mn3 (B7 O13 Br)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7099
_cell_length_b                   8.6861
_cell_length_c                   12.314
_cell_volume                     931.616
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron4-x_309.cif
_cod_data_source_block           B7Br1Mn3O13
_cod_original_cell_volume        931.6165
_cod_original_formula_sum        'B7 Br1 Mn3 O13'
_cod_database_code               8103491
Crystallographic investigation of the Co - B - O system
Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F.; Journal of Solid State Chemistry 174 (2003) 189–197; doi:10.1016/S0022-4596(03)00217-2

data_1511654
_publ_section_title
;
 Crystallographic investigation of the Co - B - O system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              189
_journal_page_last               197
_journal_paper_doi               10.1016/S0022-4596(03)00217-2
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'B4 Co O7'
_chemical_name_systematic        'Co (B4 O7)'
_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                   8.1189
_cell_length_b                   8.621
_cell_length_c                   13.737
_cell_volume                     961.494
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_31.cif
_cod_data_source_block           B4Co1O7
_cod_original_cell_volume        961.4944
_cod_original_formula_sum        'B4 Co1 O7'
_cod_database_code               1511654
Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure
Svensson, C.; Abrahams, S.C.; Bernstein, J.L.; Journal of Chemical Physics 75 (1981) 1912–1918; doi:10.1063/1.442216

data_1511655
_publ_section_title
;
 Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room
 temperature ferroelectric- ferroelastic crystal structure
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.1063/1.442216
_journal_volume                  75
_journal_year                    1981
_chemical_formula_sum            'B7 Br Ni3 O13'
_chemical_name_systematic        'Ni3 (B7 O13 Br)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5218
_cell_length_b                   8.5127
_cell_length_c                   12.0408
_cell_volume                     873.482
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            boron4-x_310.cif
_cod_data_source_block           B7Br1Ni3O13
_cod_original_cell_volume        873.4821
_cod_original_formula_sum        'B7 Br1 Ni3 O13'
_cod_database_code               1511655
Structural studies of boracites. VII. Cadmium sulphur boracite at room temperature
Nelmes, R.J.; Gould, S.E.B.; Gould, R.O.; Journal of Physics C 14 (1981) 5259–5267; doi:10.1088/0022-3719/14/34/008

data_1511656
_publ_section_title
;
 Structural studies of boracites. VII. Cadmium sulphur boracite at room
 temperature
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              5259
_journal_page_last               5267
_journal_paper_doi               10.1088/0022-3719/14/34/008
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'B7 Cd2.988 O12.765 S1.88'
_chemical_name_systematic        'Cd3 B7 O13 S2'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.491
_cell_length_b                   12.491
_cell_length_c                   12.491
_cell_volume                     1948.909
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            boron4-x_311.cif
_cod_data_source_block           B7Cd2.988O12.765S1.88
_cod_database_code               1511656
Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3 B7 O13 Cl
Nelmes, R.J.; Thornley, F.R.; Journal of Physics C 7 (1974) 3855–3874; doi:10.1088/0022-3719/7/21/009

data_1511657
_publ_section_title
;
 Structural studies of boracites. The cubic phase of chromium chlorine
 boracite, Cr3 B7 O13 Cl
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              3855
_journal_page_last               3874
_journal_paper_doi               10.1088/0022-3719/7/21/009
_journal_volume                  7
_journal_year                    1974
_chemical_formula_sum            'B7 Cl Cr3 O13'
_chemical_name_systematic        'Cr3 (B7 O13 Cl)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.132
_cell_length_b                   12.132
_cell_length_c                   12.132
_cell_volume                     1785.654
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            boron4-x_312.cif
_cod_data_source_block           B7Cl1Cr3O13
_cod_original_formula_sum        'B7 Cl1 Cr3 O13'
_cod_database_code               1511657
Powder and single-crystal X-ray study of chromium chlorine boracite, Cr3 B7 O13 Cl, at low temperature. Powder refinement of the orthorhombic modification at 100K
Schmid, H.; Mao, S.Y.; Kubel, F.; Yvon, K.; Ferroelectrics 132 (1992) 239–244; doi:10.1080/00150199208009091

data_1511658
_publ_section_title
;
 Powder and single-crystal X-ray study of chromium chlorine boracite, Cr3
 B7 O13 Cl, at low temperature. Powder refinement of the orthorhombic
 modification at 100K
;
_journal_name_full               Ferroelectrics
_journal_page_first              239
_journal_page_last               244
_journal_paper_doi               10.1080/00150199208009091
_journal_volume                  132
_journal_year                    1992
_chemical_formula_sum            'B7 Cl Cr3 O13'
_chemical_name_systematic        'Cr3 (B7 O13 Cl)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5647
_cell_length_b                   8.6125
_cell_length_c                   12.1453
_cell_volume                     895.880
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            boron4-x_313.cif
_cod_data_source_block           B7Cl1Cr3O13
_cod_original_cell_volume        895.8796
_cod_original_formula_sum        'B7 Cl1 Cr3 O13'
_cod_database_code               1511658
Tetragonal ferroelastic/antiferroelectric chromium-chlorine boracite, Cr3B7O13Cl, fron x-ray diffraction on a single-domain crystal at 230 K
Schmid, H.; Yvon, K.; Kubel, F.; Mao, S.Y.; Acta Crystallographica B (39,1983-) 47 (1991) 692–696; doi:

data_2105431
_publ_section_title
;
 Tetragonal ferroelastic/antiferroelectric chromium-chlorine boracite,
 Cr3B7O13Cl, fron x-ray diffraction on a single-domain crystal at 230 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              692
_journal_page_last               696
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'B7 Cl Cr3 O13'
_chemical_name_systematic        'Cr3 (B7 O13) Cl'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.141
_cell_length_b                   12.141
_cell_length_c                   12.1606
_cell_volume                     1792.520
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            boron4-x_314.cif
_cod_data_source_block           B7Cl1Cr3O13
_cod_original_cell_volume        1792.52
_cod_original_formula_sum        'B7 Cl1 Cr3 O13'
_cod_database_code               2105431
The crystal structure of trembathite, (Mg1.55 Fe1.43 Mn0.02) B7 O13 Cl, a mineral of the boracite group: an example of the insertion of a cluster into a three-dimensional net
Schindler, M.; Hawthorne, F.C.; Canadian Mineralogist 36 (1998) 1195–1201; doi:

data_1511659
_publ_section_title
;
 The crystal structure of trembathite, (Mg1.55 Fe1.43 Mn0.02) B7 O13 Cl, a
 mineral of the boracite group: an example of the insertion of a cluster
 into a three-dimensional net
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1195
_journal_page_last               1201
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'B7 Cl Fe1.43 Mg1.55 Mn0.021 O13'
_chemical_name_systematic        '(Mg1.55 Fe1.43 Mn0.021) B7 O13 Cl'
_space_group_IT_number           161
_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            6
_cell_length_a                   8.588
_cell_length_b                   8.588
_cell_length_c                   21.05
_cell_volume                     1344.519
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            boron4-x_315.cif
_cod_data_source_block           B7Cl1Fe1.43Mg1.55Mn0.021O13
_cod_original_formula_sum        'B7 Cl1 Fe1.43 Mg1.55 Mn0.021 O13'
_cod_database_code               1511659
Structure refinement of trigonal iron-chlorine Boracite
Yvon, K.; Mendoza-Alvarez, M.E.; Depmeier, W.; Schmid, H.; Acta Crystallographica C (39,1983-) 41 (1985) 1551–1552; doi:

data_2018879
_publ_section_title
;
 Structure refinement of trigonal iron-chlorine Boracite
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1551
_journal_page_last               1552
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'B7 Cl Fe3 O13'
_chemical_name_systematic        'Fe3 (Cl B7 O13)'
_space_group_IT_number           161
_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            6
_cell_length_a                   8.6231
_cell_length_b                   8.6231
_cell_length_c                   21.05029
_cell_volume                     1355.550
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            boron4-x_316.cif
_cod_data_source_block           B7Cl1Fe3O13
_cod_original_cell_volume        1355.55
_cod_original_formula_sum        'B7 Cl1 Fe3 O13'
_cod_database_code               2018879
Determination structurale de la boracite Li4 B7 O12 Cl
Levasseur, A.; Lloyd, D.J.; Hagenmuller, P.; Fouassier, C.; Journal of Solid State Chemistry 8 (1973) 318–324; doi:10.1016/S0022-4596(73)80028-3

data_1511660
_publ_section_title
;
 Determination structurale de la boracite Li4 B7 O12 Cl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              318
_journal_page_last               324
_journal_paper_doi               10.1016/S0022-4596(73)80028-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'B7 Cl Li4 O12'
_chemical_name_systematic        'Li4 (B7 O12 Cl)'
_space_group_IT_number           196
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.154
_cell_length_b                   12.154
_cell_length_c                   12.154
_cell_volume                     1795.385
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_317.cif
_cod_data_source_block           B7Cl1Li4O12
_cod_original_formula_sum        'B7 Cl1 Li4 O12'
_cod_database_code               1511660
Lithium halogenoboracites - the crystal structures of Li4 B7 O12 Cl
Bither, T.A.; Jeitschko, W.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 27 (1972) 1423–1423; doi:

data_7209494
_publ_section_title
;
 Lithium halogenoboracites - the crystal structures of Li4 B7 O12 Cl
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (2,1947-32,1977)
;
_journal_page_first              1423
_journal_page_last               1423
_journal_volume                  27
_journal_year                    1972
_chemical_formula_sum            'B7 Cl Li4 O12'
_chemical_name_systematic        'Li4 (B7 O12) Cl'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.1866
_cell_length_b                   12.1866
_cell_length_c                   12.1866
_cell_volume                     1809.871
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            boron4-x_318.cif
_cod_data_source_block           B7Cl1Li4O12
_cod_original_formula_sum        'B7 Cl1 Li4 O12'
_cod_database_code               7209494
Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3 B7 O13 Br and nickel chlorine boracite, Ni3 B7 O13 Cl
Kubel, F.; Mao, S.Y.; Schmid, H.; Acta Crystallographica C (39,1983-) 48 (1992) 1167–1170; doi:

data_2018880
_publ_section_title
;
 Structure of the fully ferroelectric/fully ferroelastic orthorhombic
 room-temperature phase of cobalt bromine boracite, Co3 B7 O13 Br and
 nickel chlorine boracite, Ni3 B7 O13 Cl
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1167
_journal_page_last               1170
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B7 Cl Ni3 O13'
_chemical_name_systematic        'Ni3 (B7 O13 Cl)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5105
_cell_length_b                   8.4984
_cell_length_c                   12.0324
_cell_volume                     870.251
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            boron4-x_319.cif
_cod_data_source_block           B7Cl1Ni3O13
_cod_original_cell_volume        870.2509
_cod_original_formula_sum        'B7 Cl1 Ni3 O13'
_cod_database_code               2018880
New compounds with Y Cr B4-type structure
Kuz'ma, Yu.B.; Dub, O.M.; Chaban, N.F.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 21 (1985) 1718–1720; doi:

data_1511661
_publ_section_title
;
 New compounds with Y Cr B4-type structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1718
_journal_page_last               1720
_journal_volume                  21
_journal_year                    1985
_chemical_formula_sum            'B4 Co Yb'
_chemical_name_systematic        'Co Yb B4'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.842
_cell_length_b                   11.3
_cell_length_c                   3.361
_cell_volume                     183.896
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            boron4-x_32.cif
_cod_data_source_block           B4Co1Yb1
_cod_original_cell_volume        183.8958
_cod_original_formula_sum        'B4 Co1 Yb1'
_cod_database_code               1511661
Pr8 Cl7 B7: preparation, structure, bonding, properties
Vajenine, G.V.; Mattausch, H.J.; Kremer, R.K.; Oeckler, O.; Simon, A.; Solid State Sciences 1 (1999) 509–521; doi:10.1016/S1293-2558(00)80103-X

data_1511662
_publ_section_title
;
 Pr8 Cl7 B7: preparation, structure, bonding, properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              509
_journal_page_last               521
_journal_paper_doi               10.1016/S1293-2558(00)80103-X
_journal_volume                  1
_journal_year                    1999
_chemical_formula_sum            'B7 Cl7 Pr8'
_chemical_name_systematic        'Pr8 Cl7 B7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.55
_cell_angle_beta                 82.18
_cell_angle_gamma                64.76
_cell_formula_units_Z            2
_cell_length_a                   7.731
_cell_length_b                   9.03
_cell_length_c                   14.194
_cell_volume                     883.577
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            boron4-x_320.cif
_cod_data_source_block           B7Cl7Pr8
_cod_original_cell_volume        883.5767
_cod_database_code               1511662