LMucko/crystallography-open-database huggingface dataset:
The defect structure of Y0.915 Ni4.12 B related to the superstructure of Y Ni4 B
Behr, G.; Paufler, P.; Belger, A.; Zahn, G.; Graw, G.; Wehner, B.; Journal of Alloys Compd. 283 (1999) 26–33; doi:

data_1511267
_publ_section_title
;
 The defect structure of Y0.915 Ni4.12 B related to the superstructure of
 Y Ni4 B
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              26
_journal_page_last               33
_journal_volume                  283
_journal_year                    1999
_chemical_formula_sum            'B Ni4.123 Y0.915'
_chemical_name_systematic        'Y0.915 Ni4.123 B'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   14.9085
_cell_length_b                   14.9085
_cell_length_c                   6.9196
_cell_volume                     1331.924
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_389.cif
_cod_data_source_block           B1Ni4.123Y0.915
_cod_original_formula_sum        'B1 Ni4.123 Y0.915'
_cod_database_code               1511267
A study of the upper limit of borate substitution in Ln Sr2 Cu3-x Bx O7 materials
Chapman, J.P.; Attfield, J.P.; Zhou, W.; Journal of Alloys Compd. 261 (1997) 187–191; doi:10.1016/S0925-8388(97)00227-2

data_1511268
_publ_section_title
;
 A study of the upper limit of borate substitution in Ln Sr2 Cu3-x Bx O7
 materials
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              187
_journal_page_last               191
_journal_paper_doi               10.1016/S0925-8388(97)00227-2
_journal_volume                  261
_journal_year                    1997
_chemical_formula_sum            'B0.62 Cu2.38 O7 Sr2 Y'
_chemical_name_systematic        'Y Sr2 (Cu2.38 B0.62) O7'
_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                   3.8176
_cell_length_b                   3.8345
_cell_length_c                   10.9708
_cell_volume                     160.597
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_39.cif
_cod_data_source_block           B0.62Cu2.38O7Sr2Y1
_cod_original_formula_sum        'B0.62 Cu2.38 O7 Sr2 Y1'
_cod_database_code               1511268
A ternary W5 Si3 -type phase in the Ni-Si-B system
Rundqvist, S.; Uraz, A.A.; Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 1843–1844; doi:10.3891/acta.chem.scand.24-1843

data_1511269
_publ_section_title
;
 A ternary W5 Si3 -type phase in the Ni-Si-B system
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1843
_journal_page_last               1844
_journal_paper_doi               10.3891/acta.chem.scand.24-1843
_journal_volume                  24
_journal_year                    1970
_chemical_formula_sum            'B Ni4.6 Si2'
_chemical_name_systematic        'Ni4.6 Si2 B'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.632
_cell_length_b                   8.632
_cell_length_c                   4.29
_cell_volume                     319.654
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            boron0-1_390.cif
_cod_data_source_block           B1Ni4.6Si2
_cod_original_formula_sum        'B1 Ni4.6 Si2'
_cod_database_code               1511269
The structures of Ni6 Si2 B, Fe2 P and related phases
Jellinek, F.; Rundqvist, S.; Acta Chemica Scandinavica (1-27,1973-42,1988) 13 (1959) 425–432; doi:10.3891/acta.chem.scand.13-0425

data_1511270
_publ_section_title
;
 The structures of Ni6 Si2 B, Fe2 P and related phases
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              425
_journal_page_last               432
_journal_paper_doi               10.3891/acta.chem.scand.13-0425
_journal_volume                  13
_journal_year                    1959
_chemical_formula_sum            'B Ni6 Si2'
_chemical_name_systematic        'Ni6 Si2 B'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.105
_cell_length_b                   6.105
_cell_length_c                   2.895
_cell_volume                     93.444
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            boron0-1_391.cif
_cod_data_source_block           B1Ni6Si2
_cod_original_cell_volume        93.44381
_cod_original_formula_sum        'B1 Ni6 Si2'
_cod_database_code               1511270
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_7209471
_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 O12 P3 Pb3'
_chemical_name_systematic        'Pb3 (((P O4)2 B) (P O4))'
_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                   6.9459
_cell_length_b                   14.199
_cell_length_c                   21.116
_cell_volume                     2082.562
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_392.cif
_cod_data_source_block           B1O12P3Pb3
_cod_original_formula_sum        'B1 O12 P3 Pb3'
_cod_database_code               7209471
Synthese und Kristallstruktur von Vanadium(III)-borophosphat, V2[B(PO4)3]
Meisel, M.; Paech, M.; Wulff-Molder, D.; Wilde, L.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 983–985; doi:10.1002/zaac.200400102

data_1511271
_publ_section_title
;
 Synthese und Kristallstruktur von Vanadium(III)-borophosphat, V2[B(PO4)3]
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              983
_journal_page_last               985
_journal_paper_doi               10.1002/zaac.200400102
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'B O12 P3 V2'
_chemical_name_systematic        'V2 (B (P O4)3)'
_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            6
_cell_length_a                   13.9882
_cell_length_b                   13.9882
_cell_length_c                   7.4515
_cell_volume                     1262.694
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_393.cif
_cod_data_source_block           B1O12P3V2
_cod_original_formula_sum        'B1 O12 P3 V2'
_cod_database_code               1511271
Structure cristalline de Tl B O2
Amoussou, D.; Touboul, M.; Revue de Chimie Minerale 15 (1978) 223–231; doi:

data_1511272
_publ_section_title
;
 Structure cristalline de Tl B O2
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              223
_journal_page_last               231
_journal_volume                  15
_journal_year                    1978
_chemical_formula_sum            'B O2 Tl'
_chemical_name_systematic        'Tl (B O2)'
_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            8
_cell_length_a                   7.38
_cell_length_b                   7.38
_cell_length_c                   9.35
_cell_volume                     509.242
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            boron0-1_394.cif
_cod_data_source_block           B1O2Tl1
_cod_original_cell_volume        509.2422
_cod_original_formula_sum        'B1 O2 Tl1'
_cod_database_code               1511272
Synthesis and crystal structure of new lead borophosphate Pb6 (P O4) (B (P O4)4)
Belokoneva, E.L.; Dimitrova, O.V.; Stefanovich, S.Yu.; Ruchkina, E.A.; Zhurnal Neorganicheskoi Khimii 46 (2001) 226–232; doi:

data_1511273
_publ_section_title
;
 Synthesis and crystal structure of new lead borophosphate Pb6 (P O4) (B
 (P O4)4)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              226
_journal_page_last               232
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'B O20 P5 Pb6'
_chemical_name_systematic        'Pb6 (P O4) (B (P O4)4)'
_space_group_IT_number           81
_symmetry_space_group_name_Hall  'P -4'
_symmetry_space_group_name_H-M   'P -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.951
_cell_length_b                   6.951
_cell_length_c                   9.73
_cell_volume                     470.119
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron0-1_395.cif
_cod_data_source_block           B1O20P5Pb6
_cod_original_cell_volume        470.1186
_cod_original_formula_sum        'B1 O20 P5 Pb6'
_cod_database_code               1511273
Crystal structure of tristrontium phosphide borate, Sr3 P (B O3)
Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 526–526; doi:10.1524/zkri.1995.210.7.526

data_8103468
_publ_section_title
;
 Crystal structure of tristrontium phosphide borate, Sr3 P (B O3)
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              526
_journal_page_last               526
_journal_paper_doi               10.1524/zkri.1995.210.7.526
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'B O3 P Sr3'
_chemical_name_systematic        'Sr3 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                   5.259
_cell_length_b                   5.259
_cell_length_c                   12.706
_cell_volume                     304.331
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_396.cif
_cod_data_source_block           B1O3P1Sr3
_cod_original_cell_volume        304.3307
_cod_original_formula_sum        'B1 O3 P1 Sr3'
_cod_database_code               8103468
Morphotropic series of Ln Sc3 (B O3)4 compounds
Kuz'micheva, G.M.; Panyutin, V.L.; Rybakov, V.B.; Kuz'min, O.V.; Kutovoi, S.A.; Kristallografiya 45 (2000) 990–995; doi:

data_1511274
_publ_section_title
;
 Morphotropic series of Ln Sc3 (B O3)4 compounds
;
_journal_name_full               Kristallografiya
_journal_page_first              990
_journal_page_last               995
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'B O3 Sc0.75 Tb0.25'
_chemical_name_systematic        '(Tb0.25 Sc0.75) (B O3)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.773
_cell_length_b                   4.773
_cell_length_c                   15.48
_cell_volume                     305.411
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            boron0-1_397.cif
_cod_data_source_block           B1O3Sc0.75Tb0.25
_cod_original_cell_volume        305.4108
_cod_original_formula_sum        'B1 O3 Sc0.75 Tb0.25'
_cod_database_code               1511274
Structure of Sc B O3
Sun, H.; Keszler, D.A.; Acta Crystallographica C (39,1983-) 44 (1988) 1505–1507; doi:

data_2018876
_publ_section_title
;
 Structure of Sc B O3
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1505
_journal_page_last               1507
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'B O3 Sc'
_chemical_name_systematic        'Sc B O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.748
_cell_length_b                   4.748
_cell_length_c                   15.262
_cell_volume                     297.964
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            boron0-1_398.cif
_cod_data_source_block           B1O3Sc1
_cod_original_cell_volume        297.9638
_cod_original_formula_sum        'B1 O3 Sc1'
_cod_database_code               2018876
The crystal structure of Sm B O3
Kuznetsova, V.G.; Dzhurinskii, B.F.; Palkina, K.K.; Butman, L.A.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 2 (1976) 286–289; doi:

data_1511275
_publ_section_title
;
 The crystal structure of Sm B O3
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              286
_journal_page_last               289
_journal_volume                  2
_journal_year                    1976
_chemical_formula_sum            'B O3 Sm'
_chemical_name_systematic        'Sm (B O3)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                107.79
_cell_angle_beta                 107.42
_cell_angle_gamma                93.33
_cell_formula_units_Z            4
_cell_length_a                   6.493
_cell_length_b                   6.499
_cell_length_c                   6.242
_cell_volume                     236.037
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            boron0-1_399.cif
_cod_data_source_block           B1O3Sm1
_cod_original_cell_volume        236.0374
_cod_original_formula_sum        'B1 O3 Sm1'
_cod_database_code               1511275
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_1511276
_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 Ce0.174 Fe1.74'
_chemical_name_systematic        '(B Ce2 Fe20)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                   2.986
_cell_length_b                   2.986
_cell_length_c                   2.986
_cell_volume                     26.624
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            boron0-1_4.cif
_cod_data_source_block           B0.086Ce0.174Fe1.74
_cod_original_cell_volume        26.62376
_cod_database_code               1511276
X-ray invesigations of the ternary system Fe-B-P.
Rundqvist, S.; Acta Chemica Scandinavica (1-27,1973-42,1988) 16 (1962) 1–19; doi:10.3891/acta.chem.scand.16-0001

data_1511277
_publ_section_title
;
 X-ray invesigations of the ternary system Fe-B-P.
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1
_journal_page_last               19
_journal_paper_doi               10.3891/acta.chem.scand.16-0001
_journal_volume                  16
_journal_year                    1962
_chemical_formula_sum            'B0.63 Fe3 P0.37'
_chemical_name_systematic        'Fe3 P0.37 B0.63'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.812
_cell_length_b                   8.812
_cell_length_c                   4.375
_cell_volume                     339.725
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            boron0-1_40.cif
_cod_data_source_block           B0.63Fe3P0.37
_cod_original_cell_volume        339.7246
_cod_database_code               1511277
Crystal structure of yttrium and other rare-earth borates
Santoro, R.P.; Newnham, R.E.; Redman, M.J.; Journal of the American Ceramic Society 46 (1963) 253–256; doi:10.1111/j.1151-2916.1963.tb11721.x

data_1511278
_publ_section_title
;
 Crystal structure of yttrium and other rare-earth borates
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              253
_journal_page_last               256
_journal_paper_doi               10.1111/j.1151-2916.1963.tb11721.x
_journal_volume                  46
_journal_year                    1963
_chemical_formula_sum            'B O3 Sm'
_chemical_name_systematic        'Sm (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                   3.862
_cell_length_b                   3.862
_cell_length_c                   8.978
_cell_volume                     115.967
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            boron0-1_400.cif
_cod_data_source_block           B1O3Sm1
_cod_original_cell_volume        115.9671
_cod_original_formula_sum        'B1 O3 Sm1'
_cod_database_code               1511278
Crystal structure of titanium(III) borate, Ti B O3
Deiseroth, H.J.; Huber, M.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 685–685; doi:

data_8103469
_publ_section_title
;
 Crystal structure of titanium(III) borate, Ti B O3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              685
_journal_page_last               685
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'B O3 Ti'
_chemical_name_systematic        'Ti (B O3)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.6723
_cell_length_b                   4.6723
_cell_length_c                   14.9494
_cell_volume                     282.628
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_402.cif
_cod_data_source_block           B1O3Ti1
_cod_original_cell_volume        282.6284
_cod_original_formula_sum        'B1 O3 Ti1'
_cod_database_code               8103469
Structure et filiation structurale de phases Tl6 S O7 et Tl3 B O3
Marchand, R.; Piffard, Y.; Tournoux, M.; Revue de Chimie Minerale 12 (1975) 210–217; doi:

data_1511279
_publ_section_title
;
 Structure et filiation structurale de phases Tl6 S O7 et Tl3 B O3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              210
_journal_page_last               217
_journal_volume                  12
_journal_year                    1975
_chemical_formula_sum            'B O3 Tl3'
_chemical_name_systematic        'Tl3 B O3'
_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                   9.275
_cell_length_b                   9.275
_cell_length_c                   3.775
_cell_volume                     281.239
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            boron0-1_403.cif
_cod_data_source_block           B1O3Tl3
_cod_original_cell_volume        281.2389
_cod_original_formula_sum        'B1 O3 Tl3'
_cod_database_code               1511279
Crystal structure of yttrium and other rare-earth borates
Newnham, R.E.; Redman, M.J.; Santoro, R.P.; Journal of the American Ceramic Society 46 (1963) 253–256; doi:10.1111/j.1151-2916.1963.tb11721.x

data_1511280
_publ_section_title
;
 Crystal structure of yttrium and other rare-earth borates
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              253
_journal_page_last               256
_journal_paper_doi               10.1111/j.1151-2916.1963.tb11721.x
_journal_volume                  46
_journal_year                    1963
_chemical_formula_sum            'B O3 Tm'
_chemical_name_systematic        'Tm 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                   3.78
_cell_length_b                   3.78
_cell_length_c                   8.81
_cell_volume                     109.016
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            boron0-1_404.cif
_cod_data_source_block           B1O3Tm1
_cod_original_formula_sum        'B1 O3 Tm1'
_cod_database_code               1511280