LMucko/crystallography-open-database huggingface dataset:
Structure and magnetic properties of new bcc A2-type based superstructures in R-Fe-B systems
Khan, Y.; Kneller, E.; Wang, R.-J.; Zeitschrift fuer Metallkunde 84 (1993) 881–885; doi:

data_1511437
_publ_section_title
;
 Structure and magnetic properties of new bcc A2-type based
 superstructures in R-Fe-B systems
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              881
_journal_page_last               885
_journal_volume                  84
_journal_year                    1993
_chemical_formula_sum            'B0.086 Fe1.74 Gd0.174'
_chemical_name_systematic        '(B Fe20 Gd2)0.088'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   2.994
_cell_length_b                   2.994
_cell_length_c                   2.994
_cell_volume                     26.838
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            boron0-1_6.cif
_cod_data_source_block           B0.086Fe1.74Gd0.174
_cod_original_cell_volume        26.83832
_cod_database_code               1511437
The crystal structure of sodium strontium boron dioxide hexaphosphate - a deviant apatite
Calvo, C.; Faggiani, R.; Krishnamachari, N.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 188–192; doi:10.1107/S0567740875002336

data_2105421
_publ_section_title
;
 The crystal structure of sodium strontium boron dioxide hexaphosphate - a
 deviant apatite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              188
_journal_page_last               192
_journal_paper_doi               10.1107/S0567740875002336
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'B0.996 Na0.209 O26 P6 Sr9.402'
_chemical_name_systematic        'Sr9.402 Na0.209 B0.996 O2 (P O4)6'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.734
_cell_length_b                   9.734
_cell_length_c                   7.279
_cell_volume                     597.290
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            boron0-1_60.cif
_cod_data_source_block           B0.996Na0.209O26P6Sr9.402
_cod_original_cell_volume        597.2897
_cod_database_code               2105421
The crystal structure of tetragonal boron
Ploog, K.; Kasper, J.S.; Vlasse, M.; Naslain, R.; Journal of the Less-Common Metals 67 (1979) 1–6; doi:10.1016/0022-5088(79)90067-5

data_1511438
_publ_section_title
;
 The crystal structure of tetragonal boron
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1016/0022-5088(79)90067-5
_journal_volume                  67
_journal_year                    1979
_chemical_formula_sum            B
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            190
_cell_length_a                   10.14
_cell_length_b                   10.14
_cell_length_c                   14.17
_cell_volume                     1456.954
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron0-1_61.cif
_cod_data_source_block           B1
_cod_original_formula_sum        B1
_cod_database_code               1511438
Crystal structures of the new borate fluorides Ba M B O3 F2 (M = Ga, Al)
Barbier, J.; Park, H.-S.; Journal of Solid State Chemistry 155 (2000) 354–358; doi:10.1006/jssc.2000.8924

data_1511439
_publ_section_title
;
 Crystal structures of the new borate fluorides Ba M B O3 F2 (M = Ga, Al)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              354
_journal_page_last               358
_journal_paper_doi               10.1006/jssc.2000.8924
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'B Ba F2 Ga O3'
_chemical_name_systematic        'Ba Ga (B O3) F2'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.907
_cell_length_b                   4.907
_cell_length_c                   9.62
_cell_volume                     200.603
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_62.cif
_cod_data_source_block           B1Ba1F2Ga1O3
_cod_original_cell_volume        200.6032
_cod_original_formula_sum        'B1 Ba1 F2 Ga1 O3'
_cod_database_code               1511439
The Structure of Ba B O F3
Chackraburtty, D.M.; Acta Crystallographica (1,1948-23,1967) 10 (1957) 199–200; doi:10.1107/S0365110X57000638

data_2310104
_publ_section_title
;
 The Structure of Ba B O F3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              199
_journal_page_last               200
_journal_paper_doi               10.1107/S0365110X57000638
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'B Ba F3 O'
_chemical_name_systematic        'Ba B O F3'
_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                   8.78
_cell_length_b                   5.41
_cell_length_c                   7.16
_cell_volume                     340.099
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron0-1_63.cif
_cod_data_source_block           B1Ba1F3O1
_cod_original_cell_volume        340.0985
_cod_original_formula_sum        'B1 Ba1 F3 O1'
_cod_database_code               2310104
Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M = Sr, Ba) orthoborates
Chen, J.-T.; Cheng, W.-D.; Zhang, H.; Lin, Q.-S.; Zheng, F.-K.; Chemistry of Materials (1,1989-) 13 (2001) 1841–1847; doi:

data_4001749
_publ_section_title
;
 Syntheses, crystal and electronic structures, and linear optics of Li M B
 O3 (M = Sr, Ba) orthoborates
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1841
_journal_page_last               1847
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'B Ba Li O3'
_chemical_name_systematic        'Li Ba (B O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.89
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.372
_cell_length_b                   7.022
_cell_length_c                   7.058
_cell_volume                     288.748
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            boron0-1_64.cif
_cod_data_source_block           B1Ba1Li1O3
_cod_original_cell_volume        288.7478
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'B1 Ba1 Li1 O3'
_cod_database_code               4001749
Darstellung und Aufbau von BaLi(BO3)
Hoppe, R.; Schlaeger, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 976–982; doi:10.1002/zaac.19936190603

data_1511440
_publ_section_title
;
 Darstellung und Aufbau von BaLi(BO3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              976
_journal_page_last               982
_journal_paper_doi               10.1002/zaac.19936190603
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'B Ba Li O3'
_chemical_name_systematic        'Ba Li (B O3)'
_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                 117.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.461
_cell_length_b                   7.107
_cell_length_c                   7.403
_cell_volume                     300.171
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_65.cif
_cod_data_source_block           B1Ba1Li1O3
_cod_original_cell_volume        300.1712
_cod_original_formula_sum        'B1 Ba1 Li1 O3'
_cod_database_code               1511440
Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit trigonal-planar koordiniertem Bor
Hiltmann, F.; Krebs, B.; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 424–430; doi:10.1002/zaac.19956210315

data_1511441
_publ_section_title
;
 Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit
 trigonal-planar koordiniertem Bor
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              424
_journal_page_last               430
_journal_paper_doi               10.1002/zaac.19956210315
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'B Ba Li S3'
_chemical_name_systematic        'Li Ba (B S3)'
_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                 116.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.577
_cell_length_b                   8.713
_cell_length_c                   8.687
_cell_volume                     514.491
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_66.cif
_cod_data_source_block           B1Ba1Li1S3
_cod_original_formula_sum        'B1 Ba1 Li1 S3'
_cod_database_code               1511441
Crystal structure and thermal decomposition studies of barium borophosphate, Ba B P O5
Rao, G.; Chen, X.; Yang, J.; Zhuang, W.; Zhang, H.; Liu, Q.; Liang, J.; Shi, Y.; Journal of Solid State Chemistry 135 (1998) 43–51; doi:10.1006/jssc.1997.7588

data_1511442
_publ_section_title
;
 Crystal structure and thermal decomposition studies of barium
 borophosphate, Ba B P O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              43
_journal_page_last               51
_journal_paper_doi               10.1006/jssc.1997.7588
_journal_volume                  135
_journal_year                    1998
_chemical_formula_sum            'B Ba O5 P'
_chemical_name_systematic        'Ba (B P O5)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.1094
_cell_length_b                   7.1094
_cell_length_c                   6.9895
_cell_volume                     305.944
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_67.cif
_cod_data_source_block           B1Ba1O5P1
_cod_original_cell_volume        305.9445
_cod_original_formula_sum        'B1 Ba1 O5 P1'
_cod_database_code               1511442
Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li Ba B9 O15, and Ba-borophosphate, Ba B P O5
Dimitrova, O.V.; Pushcharovskii, D.Yu.; Gobechiya, E.R.; Pasero, M.; Merlino, S.; Journal of Alloys Compd. 339 (2002) 70–75; doi:10.1016/S0925-8388(01)02017-5

data_1511443
_publ_section_title
;
 Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li
 Ba B9 O15, and Ba-borophosphate, Ba B P O5
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              70
_journal_page_last               75
_journal_paper_doi               10.1016/S0925-8388(01)02017-5
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'B Ba O5 P'
_chemical_name_systematic        'Ba (B P O5)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.114
_cell_length_b                   7.114
_cell_length_c                   6.993
_cell_volume                     306.494
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_68.cif
_cod_data_source_block           B1Ba1O5P1
_cod_original_cell_volume        306.4939
_cod_original_formula_sum        'B1 Ba1 O5 P1'
_cod_database_code               1511443
Study on the growth, structure of nonlinear optical crystal Ba B P O5
Du Chenxia; Wu Xicheng; Pan Shilie; Fu Peizhen; Chen Chuangyan; Zhang Guochun; Rengong Jingti Xuebao 32 (2003) 281–285; doi:

data_1511444
_publ_section_title
;
 Study on the growth, structure of nonlinear optical crystal Ba B P O5
;
_journal_name_full               'Rengong Jingti Xuebao'
_journal_page_first              281
_journal_page_last               285
_journal_volume                  32
_journal_year                    2003
_chemical_formula_sum            'B Ba O5 P'
_chemical_name_systematic        'Ba (B P O5)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.1329
_cell_length_b                   7.1329
_cell_length_c                   7.0368
_cell_volume                     310.055
_citation_journal_id_ASTM        RJXUEN
_cod_data_source_file            boron0-1_69.cif
_cod_data_source_block           B1Ba1O5P1
_cod_original_cell_volume        310.0546
_cod_original_formula_sum        'B1 Ba1 O5 P1'
_cod_database_code               1511444
Structure and magnetic properties of new bcc A2-type based superstructures in R-Fe-B systems
Wang, R.-J.; Khan, Y.; Kneller, E.; Zeitschrift fuer Metallkunde 84 (1993) 881–885; doi:

data_1511445
_publ_section_title
;
 Structure and magnetic properties of new bcc A2-type based
 superstructures in R-Fe-B systems
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              881
_journal_page_last               885
_journal_volume                  84
_journal_year                    1993
_chemical_formula_sum            'B0.086 Fe1.74 Ho0.174'
_chemical_name_systematic        '(B Fe20 Ho2)0.088'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   2.978
_cell_length_b                   2.978
_cell_length_c                   2.978
_cell_volume                     26.410
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            boron0-1_7.cif
_cod_data_source_block           B0.086Fe1.74Ho0.174
_cod_original_cell_volume        26.41034
_cod_database_code               1511445
Synthesis and Structure of Ba2 Zr6 Cl17 B, The Missing Link in Cluster Stoichiometries and Structures
Corbett, J.D.; Zhang, J.; Journal of the Less-Common Metals 156 (1989) 49–58; doi:10.1016/0022-5088(89)90406-2

data_1511446
_publ_section_title
;
 Synthesis and Structure of Ba2 Zr6 Cl17 B, The Missing Link in Cluster
 Stoichiometries and Structures
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1016/0022-5088(89)90406-2
_journal_volume                  156
_journal_year                    1989
_chemical_formula_sum            'B Ba2 Cl17 Zr6'
_chemical_name_systematic        'Ba2 Zr6 Cl17 B'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4735
_cell_length_b                   11.4735
_cell_length_c                   9.8812
_cell_volume                     1300.773
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron0-1_70.cif
_cod_data_source_block           B1Ba2Cl17Zr6
_cod_original_formula_sum        'B1 Ba2 Cl17 Zr6'
_cod_database_code               1511446
Borophosphate - eine vernachlaessigte Verbindungsklasse: Die Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12)
Goezel, G.; Eisenmann, B.; Kizilyalli, M.; Kniep, R.; Roehr, C.; Asbrand, M.; Angewandte Chemie (German Edition) 106 (1994) 791–793; doi:

data_1511447
_publ_section_title
;
 Borophosphate - eine vernachlaessigte Verbindungsklasse: Die
 Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12)
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              791
_journal_page_last               793
_journal_volume                  106
_journal_year                    1994
_chemical_formula_sum            'B Ba3 O12 P3'
_chemical_name_systematic        'Ba3 (B P3 O12)'
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.211
_cell_length_b                   14.296
_cell_length_c                   7.102
_cell_volume                     2255.087
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            boron0-1_71.cif
_cod_data_source_block           B1Ba3O12P3
_cod_original_formula_sum        'B1 Ba3 O12 P3'
_cod_database_code               1511447
Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine Verbindung mit einem ((P O4)2 B P O4)6- - Anion
Bluhm, K.; Park, C.-H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 1617–1622; doi:

data_7209480
_publ_section_title
;
 Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine
 Verbindung mit einem ((P O4)2 B P O4)6- - Anion
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              1617
_journal_page_last               1622
_journal_volume                  50
_journal_year                    1995
_chemical_formula_sum            'B Ba3 O12 P3'
_chemical_name_systematic        'Ba3 (((P O4)2 B) (P O4))'
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.0656
_cell_length_b                   14.268
_cell_length_c                   22.159
_cell_volume                     2233.893
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_72.cif
_cod_data_source_block           B1Ba3O12P3
_cod_original_formula_sum        'B1 Ba3 O12 P3'
_cod_database_code               7209480
Crystal structure of tribarium phosphide borate, Ba3 P (B O3)
Somer, M.; Peters, K.; Carrillo-Cabrera, W.; von Schnering, H.G.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 449–449; doi:

data_8103476
_publ_section_title
;
 Crystal structure of tribarium phosphide borate, Ba3 P (B O3)
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              449
_journal_page_last               449
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'B Ba3 O3 P'
_chemical_name_systematic        'Ba3 P (B O3)'
_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                   5.502
_cell_length_b                   5.502
_cell_length_c                   13.506
_cell_volume                     354.078
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_73.cif
_cod_data_source_block           B1Ba3O3P1
_cod_original_cell_volume        354.0776
_cod_original_formula_sum        'B1 Ba3 O3 P1'
_cod_database_code               8103476
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.; Chemistry - A European Journal 7 (2001) 2791–2797; doi:10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q

data_1511448
_publ_section_title
;
 Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages:
 synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23
 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              2791
_journal_page_last               2797
_journal_paper_doi
10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'B Ba4 N26 Nd7 O Si12'
_chemical_name_systematic        'Ba4 Nd7 (Si12 N23 O) (B N3)'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.2255
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