#------------------------------------------------------------------------------ #$Date: 2015-07-12 16:51:31 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146600 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/55/1525583.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_1525583 loop_ _publ_author_name 'Arakcheeva, A.V.' 'Grinevich, V.V.' 'Mitin, A.V.' 'Shamrai, V.F.' 'Lubman, G.U.' _publ_section_title ; Crystal structure and resistivity characteristics of new tantalum bronze K6 Ta6.5 O15+x F6+y ; _journal_name_full Kristallografiya _journal_page_first 221 _journal_page_last 229 _journal_volume 46 _journal_year 2001 _chemical_formula_sum 'F7.56 K6 O15 Ta6.5' _chemical_name_systematic 'K6 Ta6.5 O15 F7.56' _space_group_IT_number 175 _symmetry_space_group_name_Hall '-P 6' _symmetry_space_group_name_H-M 'P 6/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 13.118 _cell_length_b 13.118 _cell_length_c 3.862 _cell_volume 575.544 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Arakcheeva_KRISAJ_2001_1756.cif _cod_data_source_block F7.56K6O15Ta6.5 _cod_original_cell_volume 575.5435 _cod_database_code 1525583 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z -y,x-y,z -x,-y,z -x+y,-x,z y,-x+y,z -x,-y,-z -x+y,-x,-z y,-x+y,-z x,y,-z x-y,x,-z -y,x-y,-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K1 K+1 0.6564 0.9134 0 1 0.0 O2 O-2 0.5 0 0.5 1 0.0 Ta2 Ta+4 0 0 0.5 0.45 0.0 Ta3 Ta+4 0 0 0.7197 0.025 0.0 Ta1 Ta+4 0.36955 0.84397 0.5 1 0.0 F1 F-1 0.654 0.7425 0.5 1 0.0 O3 O-2 0.6441 0.1497 0 1 0.0 O1 O-2 0.4673 0.7786 0.5 1 0.0 F2 F-1 0.038 0.131 0.171 0.13 0.0