#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526767.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_1526767 loop_ _publ_author_name 'Krishnan, K.' 'Singh Mudher, K.D.' 'Venugopal, V.' 'Rama Rao, G.A.' _publ_section_title ; Structural and thermochemical studies on Cr2 Te O6 and Fe2 Te O6 ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 264 _journal_page_last 268 _journal_volume 316 _journal_year 2001 _chemical_formula_sum 'Fe2 O6 Te' _chemical_name_systematic 'Fe2 (Te O6)' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.6057 _cell_length_b 4.6057 _cell_length_c 9.0923 _cell_volume 192.870 _citation_journal_id_ASTM JALCEU _cod_data_source_file Krishnan_JALCEU_2001_1193.cif _cod_data_source_block Fe2O6Te1 _cod_original_cell_volume 192.8702 _cod_original_formula_sum 'Fe2 O6 Te1' _cod_database_code 1526767 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,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 O1 O-2 0.2937 0.2937 0 1 0.0 Te1 Te+6 0 0 0 1 0.0 O2 O-2 0.3097 0.3097 0.3346 1 0.0 Fe1 Fe+3 0 0 0.3368 1 0.0