LMucko/crystallography-open-database huggingface dataset:
Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure
Labbe, P; Frey, M; Raveau, B; Monier, J C; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2201–2212; doi:10.1107/S0567740877008012

data_1001009
_publ_section_title
;
Structure cristalline de la phase ferroelectrique du niobate de plomb
Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation
de la surstructure
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2201
_journal_page_last               2212
_journal_paper_doi               10.1107/S0567740877008012
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'PB NB2 O6'
_chemical_formula_sum            'Nb2 O6 Pb'
_chemical_name_systematic        'Lead diniobium oxide'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'B -2 -2b'
_symmetry_space_group_name_H-M   'B b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            40
_cell_length_a                   35.292(5)
_cell_length_b                   17.943(5)
_cell_length_c                   7.746(1)
_cell_volume                     4905.1
_refine_ls_R_factor_all          0.062
_cod_database_code               1001009
Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations
Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2306–2308; doi:10.1107/S0567740877008309

data_1001010
_publ_section_title
;
Un niobate de thallium de type 'bronze hexagonal' excedentaire en
cations
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2306
_journal_page_last               2308
_journal_paper_doi               10.1107/S0567740877008309
_journal_volume                  33
_journal_year                    1977
_chemical_formula_analytical     'NB3.175 TL O8.25 F.375'
_chemical_formula_structural     'NB3.09 TL O8.22'
_chemical_formula_sum            'Nb3.09 O8.22 Tl'
_chemical_name_systematic        'NIOBIUM THALLIUM OXIDE (3.1/1/8.2)'
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.551(4)
_cell_length_b                   13.005(6)
_cell_length_c                   7.734(4)
_cell_volume                     759.5
_refine_ls_R_factor_all          0.069
_cod_database_code               1001010
Le dichlorure et le dibromure de calcium hexahydrates
Leclaire, A; Borel, M M; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2938–2940; doi:10.1107/S0567740877009881

data_1001011
_publ_section_title
;
Le dichlorure et le dibromure de calcium hexahydrates
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2938
_journal_page_last               2940
_journal_paper_doi               10.1107/S0567740877009881
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'CA BR2 (H2 O)6'
_chemical_formula_sum            'Br2 Ca H12 O6'
_chemical_name_systematic        'CALCIUM BROMIDE HEXAHYDRATE'
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   8.164(5)
_cell_length_b                   8.164(5)
_cell_length_c                   4.016(5)
_cell_volume                     231.8
_exptl_crystal_density_meas      2.21
_refine_ls_R_factor_all          0.059
_cod_original_formula_sum        'H12 Br2 Ca O6'
_cod_database_code               1001011
Transformation orientee de l'hydrate (H~2~O)~2~ β en hydrate (H~2~O)~2~ α du nitrate de calcium. Interpretation structurale des formes cristallines des deux hydrates
Leclaire, A.; Monier, J.-C.; Acta Crystallographica, Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography 33 (1977) 717–722; doi:10.1107/S0567739477001843

data_1001012
_publ_section_title
;
 Transformation orientee de l'hydrate (H~2~O)~2~ \b en hydrate
 (H~2~O)~2~ \a du nitrate de calcium. Interpretation structurale
 des formes cristallines des deux hydrates
;
_journal_coden_ASTM              ACACBN
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section A: Crystal Physics, Diffraction, Theoretical
 and General Crystallography
;
_journal_page_first              717
_journal_page_last               722
_journal_paper_doi               10.1107/S0567739477001843
_journal_volume                  33
_journal_year                    1977
_chemical_formula_structural     'CA (N O3)2 (H2 O)2'
_chemical_formula_sum            'Ca H4 N2 O8'
_chemical_name_systematic        'calcium nitrate dihydrate'
_cod_original_formula_sum        'H4 Ca N2 O8'
_cod_database_code               1001012
Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~
Desgardin, G; Robert, C; Groult, D; Raveau, B; Journal of Solid State Chemistry 22 (1977) 101–111; doi:10.1016/0022-4596(77)90026-3

data_1001013
_publ_section_title
;
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A~2~ Nb~6~ Ti O~18~ et  A~2~ Ta~6~ Ti
O~18~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               111
_journal_paper_doi               10.1016/0022-4596(77)90026-3
_journal_volume                  22
_journal_year                    1977
_chemical_formula_structural     'RB2 NB6 TI O18'
_chemical_formula_sum            'Nb6 O18 Rb2 Ti'
_chemical_name_systematic        'Niobium rubidium titanium oxide (6/2/1/18)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.529(4)
_cell_length_b                   7.529(4)
_cell_length_c                   8.194(8)
_cell_volume                     402.3
_exptl_crystal_density_meas      4.38(5)
_refine_ls_R_factor_all          0.069
_cod_database_code               1001013
Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~
Desgardin, G; Robert, C; Groult, D; Raveau, B; Journal of Solid State Chemistry 22 (1977) 101–111; doi:10.1016/0022-4596(77)90026-3

data_1001014
_publ_section_title
;
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A~2~ Nb~6~ Ti O~18~ et  A~2~ Ta~6~ Ti
O~18~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               111
_journal_paper_doi               10.1016/0022-4596(77)90026-3
_journal_volume                  22
_journal_year                    1977
_chemical_formula_structural     'RB2 TA6 TI O18'
_chemical_formula_sum            'O18 Rb2 Ta6 Ti'
_chemical_name_systematic        'Rubidium tantalum titanium oxide (2/6/1/18)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.512(4)
_cell_length_b                   7.512(4)
_cell_length_c                   8.231(8)
_cell_volume                     402.2
_exptl_crystal_density_meas      6.62(5)
_refine_ls_R_factor_all          0.079
_cod_database_code               1001014
Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~
Desgardin, G; Robert, C; Groult, D; Raveau, B; Journal of Solid State Chemistry 22 (1977) 101–111; doi:10.1016/0022-4596(77)90026-3

data_1001015
_publ_section_title
;
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A~2~ Nb~6~ Ti O~18~ et  A~2~ Ta~6~ Ti
O~18~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               111
_journal_paper_doi               10.1016/0022-4596(77)90026-3
_journal_volume                  22
_journal_year                    1977
_chemical_formula_structural     'CS2 NB6 TI O18'
_chemical_formula_sum            'Cs2 Nb6 O18 Ti'
_chemical_name_systematic        'Caesium niobium titanium oxide (2/6/1/18)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.533(4)
_cell_length_b                   7.533(4)
_cell_length_c                   8.189(8)
_cell_volume                     402.4
_exptl_crystal_density_meas      4.78(5)
_refine_ls_R_factor_all          0.063
_cod_database_code               1001015
Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~
Desgardin, G; Robert, C; Groult, D; Raveau, B; Journal of Solid State Chemistry 22 (1977) 101–111; doi:10.1016/0022-4596(77)90026-3

data_1001016
_publ_section_title
;
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A~2~ Nb~6~ Ti O~18~ et  A~2~ Ta~6~ Ti
O~18~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               111
_journal_paper_doi               10.1016/0022-4596(77)90026-3
_journal_volume                  22
_journal_year                    1977
_chemical_formula_structural     'CS2 TA6 TI O18'
_chemical_formula_sum            'Cs2 O18 Ta6 Ti'
_chemical_name_systematic        'Caesium tantalum titanium oxide (2/6/1/18)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.513(4)
_cell_length_b                   7.513(4)
_cell_length_c                   8.227(8)
_cell_volume                     402.2
_exptl_crystal_density_meas      6.93(5)
_refine_ls_R_factor_all          0.065
_cod_database_code               1001016
Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A~12~ M~33~ O~90~ et A~12~ M~33~ O~90~ (H~2~ O)~12~
Michel, C; Guyomarch, A; Raveau, B; Journal of Solid State Chemistry 22 (1977) 393–403; doi:10.1016/0022-4596(77)90016-0

data_1001017
_publ_section_title
;
Nouveaux echangeurs cationiques avec une structure a tunnels
entrecroises: les oxides  A~12~ M~33~ O~90~  et  A~12~ M~33~ O~90~
(H~2~ O)~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              393
_journal_page_last               403
_journal_paper_doi               10.1016/0022-4596(77)90016-0
_journal_volume                  22
_journal_year                    1977
_chemical_formula_structural     'RB12 NB30 W3 O90'
_chemical_formula_sum            'Nb30 O90 Rb12 W3'
_chemical_name_systematic
;
Rubidium niobium tungsten oxide (12/30/3/90)
;
_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                   7.486(2)
_cell_length_b                   7.486(2)
_cell_length_c                   43.10(1)
_cell_volume                     2091.7
_exptl_crystal_density_meas      4.57
_refine_ls_R_factor_all          0.09
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1001017
La forme β du dichlorure de calcium tétrahydraté
Leclaire, A.; Borel, M. M.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 34 (1978) 900–902; doi:10.1107/S0567740878004288

data_1001018
_publ_section_title
;
 La forme \b du dichlorure de calcium t\'etrahydrat\'e
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              900
_journal_page_last               902
_journal_paper_doi               10.1107/S0567740878004288
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'CA CL2 (H2 O)4'
_chemical_formula_sum            'Ca Cl2 H8 O4'
_chemical_name_systematic        'Calcium chloride tetrahydrate - \b'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 114.68(4)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   8.923(5)
_cell_length_b                   10.221(4)
_cell_length_c                   12.787(6)
_cell_volume                     1059.7
_refine_ls_R_factor_all          0.068
_cod_original_formula_sum        'H8 Ca Cl2 O4'
_cod_database_code               1001018
Identification et structure du chlorure nitrate de calcium dihydrate
Leclaire, A; Borel, M M; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 902–904; doi:10.1107/S056774087800429X

data_1001019
_publ_section_title
;
Identification et structure du chlorure nitrate de calcium dihydrate
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              902
_journal_page_last               904
_journal_paper_doi               10.1107/S056774087800429X
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'CA CL N O3 (H2 O)2'
_chemical_formula_sum            'Ca Cl H4 N O5'
_chemical_name_systematic        'Calcium chloride nitrate 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                   9.052(4)
_cell_length_b                   6.676(5)
_cell_length_c                   19.797(6)
_cell_volume                     1196.4
_exptl_crystal_density_meas      1.91
_refine_ls_R_factor_all          0.027
_cod_original_formula_sum        'H4 Ca Cl N O5'
_cod_database_code               1001019
Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In
Labbe, P H; Goreaud, M; Raveau, B; Monier, J C; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1433–1438; doi:10.1107/S0567740878005841

data_1001020
_publ_section_title
;
Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal.
I. Analyse structurale des bronzes de composition  M~0.30~ W O~3~ .
Stereochimie des elements M=Rb, Tl et In
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1433
_journal_page_last               1438
_journal_paper_doi               10.1107/S0567740878005841
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'RB0.28 W O3'
_chemical_formula_sum            'O3 Rb0.28 W'
_chemical_name_systematic        'Rubidium tungsten oxide (.3/1/3)'
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.3875(11)
_cell_length_b                   7.3875(11)
_cell_length_c                   7.5589(12)
_cell_volume                     357.3
_refine_ls_R_factor_all          0.047
_cod_original_formula_sum        'O3 Rb.28 W'
_cod_database_code               1001020
Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In
Labbe, P H; Goreaud, M; Raveau, B; Monier, J C; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1433–1438; doi:10.1107/S0567740878005841

data_1001021
_publ_section_title
;
Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal.
I. Analyse structurale des bronzes de composition  M~0.30~ W O~3~ .
Stereochimie des elements M=Rb, Tl et In
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1433
_journal_page_last               1438
_journal_paper_doi               10.1107/S0567740878005841
_journal_volume                  34
_journal_year                    1978
_chemical_formula_structural     'TL0.30 W O3'
_chemical_formula_sum            'O3 Tl0.3 W'
_chemical_name_systematic        'Thallium tungsten oxide (0.3/1/3)'
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.3810(18)
_cell_length_b                   7.3810(18)
_cell_length_c                   7.5091(11)
_cell_volume                     354.3
_refine_ls_R_factor_all          0.043
_cod_original_formula_sum        'O3 Tl.3 W'
_cod_database_code               1001021
Dititanate de lanthane
Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2129–2130; doi:10.1107/S0567740875007005

data_1001022
_publ_section_title              'Dititanate de lanthane'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2129
_journal_page_last               2130
_journal_paper_doi               10.1107/S0567740875007005
_journal_volume                  31
_journal_year                    1975
_chemical_formula_structural     'LA2 TI2 O7'
_chemical_formula_sum            'La2 O7 Ti2'
_chemical_name_systematic        'DILANTHANUM DITITANIUM OXIDE'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                98.60(2)
_cell_formula_units_Z            4
_cell_length_a                   7.800(3)
_cell_length_b                   13.011(4)
_cell_length_c                   5.546(2)
_cell_volume                     556.5
_refine_ls_R_factor_all          0.075
_cod_database_code               1001022
Identification d'un nouvel hydrate du nitrate de calcium Ca(NO~3~)~2~.2H~2~O β
Leclaire, A.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30 (1974) 605–607; doi:10.1107/S0567740874003384

data_1001023
_publ_section_title
;
 Identification d'un nouvel hydrate du nitrate de calcium
 Ca(NO~3~)~2~.2H~2~O \b
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              605
_journal_page_last               607
_journal_paper_doi               10.1107/S0567740874003384
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     'Ca (N O3)2 (H2 O)2'
_chemical_formula_sum            'Ca H4 N2 O8'
_chemical_name_systematic        'Calcium nitrate dihydrate - \b'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.79(1)
_cell_length_b                   6.88(1)
_cell_length_c                   12.22(1)
_cell_volume                     654.9
_exptl_crystal_density_meas      2.03
_refine_ls_R_factor_all          0.092
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11

 Adding two attached hydrogens to the 'O4' atom since it belongs
 to a water molecule.

 Antanas Vaitkus,
 2016-07-12
;
_cod_original_formula_sum        'H4 Ca N2 O8'
_cod_database_code               1001023
Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~
Gasperin, M; Acta Crystallographica B (24,1968-38,1982) 30 (1974) 1181–1183; doi:10.1107/S0567740874004523

data_1001024
_publ_section_title
;
Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~
O~6~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1181
_journal_page_last               1183
_journal_paper_doi               10.1107/S0567740874004523
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     'Tl Nb B2 O6'
_chemical_formula_sum            'B2 Nb O6 Tl'
_chemical_name_systematic        'Thallium niobium borate *'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.82(2)
_cell_length_b                   9.46(2)
_cell_length_c                   7.40(2)
_cell_volume                     547.4
_refine_ls_R_factor_all          0.08
_cod_database_code               1001024