LMucko/crystallography-open-database huggingface dataset:
Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite
Loiseau, T; Paulet, C; Ferey, G; C. R. Acad. Sci. Paris, T. 1, Serie II 1 (1998) 667–674; doi:

data_1000505
_publ_section_title
;
Crystal structure determination of the hydrated gallium phosphate Ga P
O4 . 2(H2 O), analog of variscite
;
_journal_coden_ASTM              CASCFN
_journal_name_full               'C. R. Acad. Sci. Paris, T. 1, Serie II'
_journal_page_first              667
_journal_page_last               674
_journal_volume                  1
_journal_year                    1998
_chemical_formula_structural     'Ga (P O4) (H2 O)2'
_chemical_formula_sum            'Ga H4 O6 P'
_chemical_name_systematic        'Gallium phosphate(V) dihydrate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   9.9260(1)
_cell_length_b                   8.6189(1)
_cell_length_c                   9.7622(1)
_cell_volume                     835.2
_database_code_amcsd             0015448
_exptl_crystal_density_diffrn    3.193
_refine_ls_R_factor_all          0.036
_cod_original_formula_sum        'H4 Ga O6 P'
_cod_database_code               1000505
_amcsd_formula_title             GaP04*2H20
E.Goreshnik; M.Leblanc; V.Maisonneuve; Z.Anorg.Allg.Chem. 628 (2002) 162–; doi:10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K

data_1000506
_journal_name_full               Z.Anorg.Allg.Chem.
_journal_page_first              162
_journal_paper_doi
10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K
_journal_volume                  628
_journal_year                    2002
_chemical_formula_moiety
;
(C6 H22 N4 4+)2n,n(Al7 F29 8-),2n(H2 O1)
;
_chemical_formula_sum            'C12 H48 Al7 F29 N8 O2'
_chemical_name_systematic
;
catena-(bis(tris(2-Ammonioethyl)ammonium) tridecakis(\m~2~-fluoro)-hexadecaflu
oro-hepta-aluminium dihydrate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.56(2)
_cell_angle_beta                 96.48(4)
_cell_angle_gamma                94.03(2)
_cell_formula_units_Z            1
_cell_length_a                   8.438(2)
_cell_length_b                   10.125(2)
_cell_length_c                   10.853(4)
_cell_volume                     877.962
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.036
_refine_ls_R_factor_gt           0.0333
_refine_ls_wR_factor_gt          0.0333
_cod_database_code               1000506
E.Goreshnik; M.Leblanc; V.Maisonneuve; Z.Anorg.Allg.Chem. 628 (2002) 162–; doi:10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K

data_1000507
_journal_name_full               Z.Anorg.Allg.Chem.
_journal_page_first              162
_journal_paper_doi
10.1002/1521-3749(200201)628:1<162::AID-ZAAC162>3.0.CO;2-K
_journal_volume                  628
_journal_year                    2002
_chemical_formula_moiety
;
2(C6 H22 N4 4+),H3 O1 1+,Al7 F30 9-
;
_chemical_formula_sum            'C12 H47 Al7 F30 N8 O'
_chemical_name_systematic
;
bis(tris(2-Ammonioethyl)ammonium) hydroxonium dodecakis(\m~2~-fluoro)-octadeca
fluoro-hepta-aluminium
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.746(7)
_cell_angle_beta                 102.016(1)
_cell_angle_gamma                103.035(4)
_cell_formula_units_Z            1
_cell_length_a                   9.1111(6)
_cell_length_b                   10.2652(8)
_cell_length_c                   11.3302(8)
_cell_volume                     915.903
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.955
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_gt          0.0489
_cod_original_formula_sum        'C12 H47 Al7 F30 N8 O1'
_cod_database_code               1000507
Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters
Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.; European Journal of Organic Chemistry 2002 (2002) 514–525; doi:10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z

data_1000508
_publ_section_title
;
 Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers
 and \b-Ethylenic \a-Oxo Esters
;
_journal_issue                   3
_journal_name_full               'European Journal of Organic Chemistry'
_journal_page_first              514
_journal_page_last               525
_journal_paper_doi
10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_moiety         'C16 H26 O5'
_chemical_formula_sum            'C16 H26 O5'
_chemical_melting_point          347.65
_chemical_name_systematic
'Methyl (4S*,4aS*,8aS*)-4-t-butoxy-8a-methoxy-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate'
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.7805(12)
_cell_length_b                   29.081(5)
_cell_length_c                   8.4303(12)
_cell_volume                     3378.449
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.173
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_gt          0.0535
_cod_database_code               1000508
Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters
Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.; European Journal of Organic Chemistry 2002 (2002) 514–525; doi:10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z

data_1000509
_publ_section_title
;
 Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers
 and \b-Ethylenic \a-Oxo Esters
;
_journal_issue                   3
_journal_name_full               'European Journal of Organic Chemistry'
_journal_page_first              514
_journal_page_last               525
_journal_paper_doi
10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_moiety         'C23 H34 O4 Si1'
_chemical_formula_sum            'C23 H34 O4 Si'
_chemical_melting_point          383.15
_chemical_name_systematic
'Methyl (4R*,4aS*,8aR*)-8a-t-butyldimethylsiloxy-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 98.37(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.084(3)
_cell_length_b                   8.3502(7)
_cell_length_c                   20.303(3)
_cell_volume                     4710.483
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.135
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_gt          0.0536
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C23 H34 O4 Si1'
_cod_database_code               1000509
Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters
Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R.; European Journal of Organic Chemistry 2002 (2002) 514–525; doi:10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z

data_1000510
_publ_section_title
;
 Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers
 and \b-Ethylenic \a-Oxo Esters
;
_journal_issue                   3
_journal_name_full               'European Journal of Organic Chemistry'
_journal_page_first              514
_journal_page_last               525
_journal_paper_doi
10.1002/1099-0690(20022)2002:3<514::AID-EJOC514>3.0.CO;2-Z
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_moiety         'C23 H34 O4 Si1'
_chemical_formula_sum            'C23 H34 O4 Si'
_chemical_melting_point          399.15
_chemical_name_systematic
'Methyl (4R*,4aS*,8aS*)-8a-t-butyldimethylsiloxy-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-chromene-2-carboxylate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.406(10)
_cell_angle_beta                 72.021(13)
_cell_angle_gamma                70.117(11)
_cell_formula_units_Z            2
_cell_length_a                   9.4586(17)
_cell_length_b                   11.1593(16)
_cell_length_c                   12.4892(15)
_cell_volume                     1172.522
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.14
_refine_ls_R_factor_gt           0.0822
_refine_ls_wR_factor_gt          0.0822
_cod_original_formula_sum        'C23 H34 O4 Si1'
_cod_database_code               1000510
Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α
Leclaire, A.; Mitschler, A.; Monier, J.-C.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 32 (1976) 1496–1499; doi:10.1107/S0567740876005633

data_1001000
_publ_section_title
;
 Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O \a
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   4
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              1496
_journal_page_last               1499
_journal_paper_doi               10.1107/S0567740876005633
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'CA (N O3)2 (H2 O)2'
_chemical_formula_sum            'Ca H4 N2 O8'
_chemical_name_systematic        'Calcium nitrate dihydrate - \a'
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90.(0)
_cell_angle_beta                 90.(0)
_cell_angle_gamma                90.(0)
_cell_formula_units_Z            16
_cell_length_a                   11.827(9)
_cell_length_b                   16.538(14)
_cell_length_c                   12.622(12)
_cell_volume                     2468.8
_exptl_crystal_density_meas      2.14
_refine_ls_R_factor_all          0.084
_cod_original_sg_symbol_H-M      'C c c a Z'
_cod_original_formula_sum        'H4 Ca N2 O8'
_cod_database_code               1001000
Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux
Goreaud, M; Raveau, B; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1536–1540; doi:10.1107/S0567740876005724

data_1001001
_publ_section_title
;
Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de
type tetragermanate et etude structurale comparee de germanates en
anneaux
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1536
_journal_page_last               1540
_journal_paper_doi               10.1107/S0567740876005724
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'Rb2 Ge4 O9'
_chemical_formula_sum            'Ge4 O9 Rb2'
_chemical_name_systematic
;
Dirubidium germanium tecto-octaoxotetragermanate
;
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.08(7)
_cell_length_b                   12.08(7)
_cell_length_c                   9.86(5)
_cell_volume                     1246.1
_refine_ls_R_factor_all          0.076
_cod_database_code               1001001
Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux
Goreaud, M; Raveau, B; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1536–1540; doi:10.1107/S0567740876005724

data_1001002
_publ_section_title
;
Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de
type tetragermanate et etude structurale comparee de germanates en
anneaux
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1536
_journal_page_last               1540
_journal_paper_doi               10.1107/S0567740876005724
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'Rb2 Ti Ge3 O9'
_chemical_formula_sum            'Ge3 O9 Rb2 Ti'
_chemical_name_systematic        'Dirubidium titanium cyclo-trigermanate'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.19(5)
_cell_length_b                   12.19(5)
_cell_length_c                   10.14(8)
_cell_volume                     1304.9
_refine_ls_R_factor_all          0.081
_cod_database_code               1001002
Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N O~3~)~2~ (H~2~ O)~1.235~
Leclaire, A; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1950–1953; doi:10.1107/S0567740876006845

data_1001003
_publ_section_title
;
Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N
O~3~)~2~ (H~2~ O)~1.235~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1950
_journal_page_last               1953
_journal_paper_doi               10.1107/S0567740876006845
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'CA (N O3)2 (H2 O)1.235'
_chemical_formula_sum            'Ca H2.47 N2 O7.235'
_chemical_name_systematic        'Calcium nitrate hydrate (1/2/1.2)'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            34
_cell_length_a                   13.226(2)
_cell_length_b                   13.226(2)
_cell_length_c                   32.37(2)
_cell_volume                     4903.8
_refine_ls_R_factor_all          0.039
_cod_original_formula_sum        'H2.47 Ca N2 O7.235'
_cod_database_code               1001003
Rb Nb B~2~ O~6~: structure de la maille multiple et proprietes optiques
Baucher, A; Gasperin, M; Cervelle, B; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2211–2215; doi:10.1107/S0567740876007395

data_1001004
_publ_section_title
;
Rb Nb B~2~ O~6~: structure de la maille multiple et proprietes optiques
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2211
_journal_page_last               2215
_journal_paper_doi               10.1107/S0567740876007395
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'RB NB B2 O6'
_chemical_formula_sum            'B2 Nb O6 Rb'
_chemical_name_systematic        'RUBIDIUM NIOBIUM BORATE'
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      7
_symmetry_space_group_name_Hall  'P -2xbc'
_symmetry_space_group_name_H-M   'P n 1 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   19.640(2)
_cell_length_b                   9.449(3)
_cell_length_c                   7.389(3)
_cell_volume                     1371.2
_refine_ls_R_factor_all          0.088
_cod_database_code               1001004
Synthese d'une nouvelle famille d'oxydes doubles: A~8~^+^ B~22~^5+^ O~59~ structure du compose a thallium et niobium
Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 398–402; doi:10.1107/S0567740877003744

data_1001005
_publ_section_title
;
Synthese d'une nouvelle famille d'oxydes doubles: A~8~^+^ B~22~^5+^
O~59~ structure du compose a thallium et niobium
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              398
_journal_page_last               402
_journal_paper_doi               10.1107/S0567740877003744
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'TL10.5 NB33 O88.5 (H2 O)1.5'
_chemical_formula_sum            'H3 Nb33 O90 Tl10.5'
_chemical_name_systematic
;
Niobium thallium oxide hydrate (33/10.5/88.5/1.5)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.51(2)
_cell_length_b                   7.51(2)
_cell_length_c                   43.29(4)
_cell_volume                     2114.5
_refine_ls_R_factor_all          0.07
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1001005
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~
Choisnet, J; Groult, D; Raveau, B; Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841–1845; doi:10.1107/S056774087700716X

data_1001006
_publ_section_title
;
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~
O~12~ et K~3~ Ta~3~ B~2~ O~12~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1841
_journal_page_last               1845
_journal_paper_doi               10.1107/S056774087700716X
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'B2 K3 Ta3 O12'
_chemical_formula_sum            'B2 K3 O12 Ta3'
_chemical_name_systematic        'Diboron tripotassium tritantalum oxide'
_space_group_IT_number           157
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   8.775(5)
_cell_length_b                   8.775(5)
_cell_length_c                   3.897(1)
_cell_volume                     259.9
_exptl_crystal_density_meas      5.58
_cod_database_code               1001006
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~
Choisnet, J; Groult, D; Raveau, B; Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841–1845; doi:10.1107/S056774087700716X

data_1001007
_publ_section_title
;
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~
O~12~ et K~3~ Ta~3~ B~2~ O~12~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1841
_journal_page_last               1845
_journal_paper_doi               10.1107/S056774087700716X
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'K3 B2 NB3 O12'
_chemical_formula_sum            'B2 K3 Nb3 O12'
_chemical_name_systematic        'Tripotassium boro-niobate *'
_space_group_IT_number           157
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   8.753(5)
_cell_length_b                   8.753(5)
_cell_length_c                   3.966(1)
_cell_volume                     263.1
_exptl_crystal_density_meas      3.85
_refine_ls_R_factor_all          0.08
_cod_database_code               1001007
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~
Choisnet, J; Groult, D; Raveau, B; Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1841–1845; doi:10.1107/S056774087700716X

data_1001008
_publ_section_title
;
Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~
O~12~ et K~3~ Ta~3~ B~2~ O~12~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1841
_journal_page_last               1845
_journal_paper_doi               10.1107/S056774087700716X
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'B2 K3 Nb3 O12'
_chemical_formula_sum            'B2 K3 Nb3 O12'
_chemical_name_systematic        'Tripotassium boro-niobate *'
_space_group_IT_number           157
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            16
_cell_length_a                   34.01
_cell_length_b                   34.01
_cell_length_c                   3.966(1)
_cell_volume                     3972.8
_exptl_crystal_density_meas      3.85
_refine_ls_R_factor_all          0.12
_cod_database_code               1001008