#------------------------------------------------------------------------------ #$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/54/2005478.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_2005478 _journal_name_full 'Acta Crystallographica C' _journal_volume 52 _journal_year 1996 _journal_page_first 2384 _journal_page_last 2385 _publ_section_title ; CsAg~0.64~Mn~1.18~Te~2~ ; _chemical_formula_sum 'Ag0.64 Cs Mn1.18 Te2' _[local]_cod_chemical_formula_sum_orig 'Cs Ag0.64 Mn1.18 Te2' _chemical_formula_weight 521.968 _symmetry_cell_setting 'tetragonal' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-y, x, z' 'y, -x, z' '-x, y, -z' 'x, -y, -z' 'y, x, -z' '-y, -x, -z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' 'y+1/2, -x+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'y+1/2, x+1/2, -z+1/2' '-y+1/2, -x+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z' 'y, -x, -z' '-y, x, -z' 'x, -y, z' '-x, y, z' '-y, -x, z' 'y, x, z' '-x+1/2, -y+1/2, -z+1/2' 'x+1/2, y+1/2, -z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, x+1/2, z+1/2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_length_a 4.520(2) _cell_length_b 4.520(2) _cell_length_c 15.484(8) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 316.3(3) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 5.469 _cell_measurement_temperature 113(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs1 1.00 0.0000 0.0000 0.0000 0.0176(4) Ag1 0.320(8) 0.0000 0.5000 0.2500 0.0151(4) Mn1 0.590(5) 0.0000 0.5000 0.2500 0.0151(4) Te1 1.00 0.0000 0.0000 0.35612(4) 0.0154(4) _cod_database_code 2005478