#------------------------------------------------------------------------------ #$Date: 2022-10-20 15:18:49 +0100 (Thu, 20 Oct 2022) $ #$Revision: 278662 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/04/3000405.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_3000405 loop_ _publ_author_name 'Shuai Huang' _journal_name_full 'Personal communication to COD' _journal_year 2022 _chemical_formula_sum 'Ge4 Mn4 Tb2' _chemical_name_common TbMn2Ge2 _space_group_IT_number 139 _space_group_name_Hall '-I 4 2' _space_group_name_H-M_alt 'I 4/m m m' _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_formula_units_Z 1 _cell_length_a 3.983290 _cell_length_b 3.983290 _cell_length_c 10.830740 _cell_volume 171.847 _cod_data_source_file TbMn2Ge2-Generate.cif _cod_data_source_block TbMn2Ge2 _cod_depositor_comments ;Releasing structure 3000405 into public domain as personal communication to COD. ; _cod_original_formula_sum Tb2Mn4Ge4 _cod_database_code 3000405 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' '-x, -y, z' 'x, y, -z' '-y, x, z' 'y, -x, -z' 'y, -x, z' '-y, x, -z' '-x, y, -z' 'x, -y, z' 'x, -y, -z' '-x, y, z' 'y, x, -z' '-y, -x, 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' '-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' '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' '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' '-y+1/2, -x+1/2, -z+1/2' 'y+1/2, x+1/2, z+1/2' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Tb0 1.0 0.000000 0.000000 0.000000 Tb1 1.0 0.500000 0.500000 0.500000 Mn2 1.0 0.000000 0.500000 0.250000 Mn3 1.0 0.500000 0.000000 0.250000 Mn4 1.0 0.500000 0.000000 0.750000 Mn5 1.0 0.000000 0.500000 0.750000 Ge6 1.0 0.500000 0.500000 0.119594 Ge7 1.0 0.000000 0.000000 0.380406 Ge8 1.0 0.000000 0.000000 0.619594 Ge9 1.0 0.500000 0.500000 0.880406