#------------------------------------------------------------------------------ #$Date: 2015-10-10 02:49:39 +0100 (Sat, 10 Oct 2015) $ #$Revision: 164318 $ #$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104117.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_8104117 loop_ _publ_author_name 'Dronskowski, R.' 'Simon, A.' 'Plambeck-Fischer, P.' _publ_section_title ; Verfeinerung der Kristallstrukturen von Ta5As4 und monoklinem Nb4.7Te4 ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 101 _journal_page_last 110 _journal_volume 198 _journal_year 1992 _chemical_formula_sum 'As4 Ta5' _chemical_name_systematic 'Ta5 As4' _space_group_IT_number 87 _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.7975 _cell_length_b 9.7975 _cell_length_c 3.4296 _cell_volume 329.211 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Dronskowski_ZEKRDZ_1992_16.cif _cod_data_source_block As4Ta5 _cod_original_cell_volume 329.2107 _cod_database_code 8104117 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x,-y,-z y,-x,-z x,y,-z -y,x,-z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-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+2 0 0 0 1 0.0 As1 As-3 0.0518 0.284 0 1 0.0 Ta2 Ta+2 0.305 0.3682 0 1 0.0