data_global _amcsd_formula_title 'As3 Cs5 Ge' loop_ _publ_author_name 'Eisenmann B' 'Klein J' 'Somer M' _journal_name_full 'Angewandte Chemie' _journal_volume 102 _journal_year 1990 _journal_page_first 92 _journal_page_last 93 _publ_section_title ; C O3^2-^ - isostere Anionen in Cs5SiP3, Cs5SiAs3, Cs5GeP3 und Cs5GeAs3 _cod_database_code 1008432 ; _database_code_amcsd 0016339 _chemical_formula_sum 'Cs5 Ge As3' _cell_length_a 14.615 _cell_length_b 6.045 _cell_length_c 15.964 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1410.382 _exptl_crystal_density_diffrn 4.530 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cs1 0.56470 0.25000 0.45030 Cs2 0.61980 0.25000 0.68600 Cs3 0.85450 0.25000 0.54860 Cs4 0.27890 0.25000 0.20600 Cs5 0.05120 0.25000 0.34480 Ge1 0.26070 0.25000 0.56850 As1 0.10100 0.25000 0.58860 As2 0.31030 0.25000 0.42800 As3 0.36620 0.25000 0.68240 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cs1 0.02860 0.03150 0.03680 0.00000 -0.00120 0.00000 Cs2 0.04300 0.03150 0.02410 0.00000 0.00180 0.00000 Cs3 0.03210 0.02930 0.03930 0.00000 -0.00390 0.00000 Cs4 0.03940 0.02770 0.02600 0.00000 -0.00150 0.00000 Cs5 0.03680 0.04380 0.05710 0.00000 -0.00490 0.00000 Ge1 0.01960 0.01730 0.01740 0.00000 -0.00020 0.00000 As1 0.01670 0.03220 0.02140 0.00000 0.00020 0.00000 As2 0.02630 0.02870 0.02200 0.00000 0.00270 0.00000 As3 0.02390 0.03170 0.03100 0.00000 -0.01020 0.00000