#------------------------------------------------------------------------------ #$Date: 2015-07-08 20:19:57 +0300 (Wed, 08 Jul 2015) $ #$Revision: 141248 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106080.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106080 loop_ _publ_author_name 'Boukhari, A.' 'Chaminade, J.P.' 'Pouchard, M.' 'Vlasse, M.' _publ_section_title ; Structure of the potassium tantalum fluoride oxide K3 Ta4 F7 O8 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 237 _journal_page_last 240 _journal_volume 36 _journal_year 1980 _chemical_formula_sum 'F15 K3 Ta4' _chemical_name_systematic 'K3 Ta4 (F15)' _space_group_IT_number 31 _symmetry_space_group_name_Hall 'P 2ac -2' _symmetry_space_group_name_H-M 'P m n 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.918 _cell_length_b 18.072 _cell_length_c 19.057 _cell_volume 1349.352 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Boukhari_ACBCAR_1980_619.cif _cod_data_source_block F15K3Ta4 _cod_database_code 2106080 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 -x,y,z x+1/2,-y,z+1/2 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 Ta1 Ta+3 0 0.9587 0.01 1 0.0 F19 F-1 0 0.401 0.458 1 0.0 Ta8 Ta+3 0.5 0.7527 0.3572 1 0.0 F21 F-1 0.5 0.775 0.463 1 0.0 F29 F-1 0 0.748 0.358 1 0.0 F10 F-1 0.5 0.264 0.411 1 0.0 F28 F-1 0 0.677 0.187 1 0.0 Ta5 Ta+3 0.5 0.4617 0.205 1 0.0 F27 F-1 0 0.469 0.23 1 0.0 K2 K+1 0 0.832 0.221 1 0.0 F4 F-1 0.5 0.952 0.236 1 0.0 F25 F-1 0 0.963 0.325 1 0.0 F1 F-1 0 0.904 0.099 1 0.0 F5 F-1 0.5 0.065 0.312 1 0.0 F9 F-1 0.5 0.271 0.091 1 0.0 F7 F-1 0.5 0.221 0.288 1 0.0 K1 K+1 0 0.344 0.331 1 0.0 F8 F-1 0.5 0.145 0.146 1 0.0 Ta6 Ta+3 0.5 0.6629 0.1812 1 0.0 F2 F-1 0 0.054 0.07 1 0.0 F30 F-1 0 0.537 0.027 1 0.0 F11 F-1 0.5 0.35 0.22 1 0.0 Ta2 Ta+3 0.5 0.9613 0.333 1 0.0 Ta7 Ta+3 0.5 0.2513 0.1806 1 0.0 F16 F-1 0.5 0.763 0.128 1 0.0 K5 K+1 0 0.571 0.34 1 0.0 F6 F-1 0.5 0.966 0.436 1 0.0 Ta3 Ta+3 0.5 0.1654 0.3593 1 0.0 F23 F-1 0.5 0.967 -0.001 1 0.0 F26 F-1 0 0.169 0.378 1 0.0 F14 F-1 0.5 0.58 0.238 1 0.0 F3 F-1 0.5 0.855 0.337 1 0.0 K4 K+1 0 0.365 0.036 1 0.0 F18 F-1 0 0.538 0.475 1 0.0 F17 F-1 0.5 0.718 0.277 1 0.0 K3 K+1 0.5 0.147 0.011 1 0.0 F12 F-1 0.5 0.48 0.113 1 0.0 F24 F-1 0 0.243 0.172 1 0.0 F20 F-1 0.5 0.124 0.45 1 0.0 F13 F-1 0.5 0.458 0.31 1 0.0 F15 F-1 0.5 0.622 0.101 1 0.0 Ta4 Ta+3 0.5 0.5395 0.0334 1 0.0 F22 F-1 0.5 0.649 0.398 1 0.0 K6 K+1 0 0.06 0.201 1 0.0