#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/10/1001006.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1001006 _chemical_name_systematic 'Diboron tripotassium tritantalum oxide' _chemical_formula_structural 'B2 K3 Ta3 O12' _chemical_formula_sum 'B2 K3 O12 Ta3' _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~ ; loop_ _publ_author_name 'Choisnet, J' 'Groult, D' 'Raveau, B' 'Gasperin, M' _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_coden_ASTM ACBCAR _journal_volume 33 _journal_year 1977 _journal_page_first 1841 _journal_page_last 1845 _cell_length_a 8.775(5) _cell_length_b 8.775(5) _cell_length_c 3.897(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 259.9 _cell_formula_units_Z 1 _exptl_crystal_density_meas 5.58 _symmetry_space_group_name_H-M 'P 3 1 m' _symmetry_Int_Tables_number 157 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' 'y,x,z' '-x,y-x,z' 'x-y,-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ? _cod_database_code 1001006