data_2202360 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2003 _journal_volume 59 _journal_page_first i137 _journal_page_last i138 _publ_section_title ; Cs~4~Ge~2~S~8~ ; loop_ _publ_author_name 'Wu, Yuandong' 'N\"ather, Christian' 'Bensch, Wolfgang' _chemical_formula_moiety 'Cs4 Ge2 S8' _chemical_formula_sum 'Cs4 Ge2 S8' _chemical_formula_iupac 'Cs4 Ge2 S8' _chemical_formula_weight 933.42 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 14.721(2) _cell_length_b 7.3640(10) _cell_length_c 9.8200(10) _cell_angle_alpha 90 _cell_angle_beta 122.430(10) _cell_angle_gamma 90 _cell_volume 898.5(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 3.450 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Cs1 0.16369(2) 0.0000 0.28823(4) 0.03154(9) Uani d S 1 . . Cs Cs2 0.41590(2) 0.0000 0.15007(3) 0.03007(9) Uani d S 1 . . Cs Ge1 0.15583(4) 0.0000 0.70131(5) 0.02168(10) Uani d S 1 . . Ge S1 0.31312(10) 0.0000 0.73583(14) 0.0323(2) Uani d S 1 . . S S2 0.12490(9) 0.0000 0.89111(13) 0.0283(2) Uani d S 1 . . S S3 0.07944(6) 0.24278(10) 0.53104(9) 0.02617(15) Uani d . 1 . . S 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 0.03182(15) 0.03397(15) 0.03260(15) 0.000 0.01977(13) 0.000 Cs2 0.02964(15) 0.03338(14) 0.02519(14) 0.000 0.01336(11) 0.000 Ge1 0.0223(2) 0.02382(19) 0.0194(2) 0.000 0.01150(17) 0.000 S1 0.0250(5) 0.0424(6) 0.0321(6) 0.000 0.0170(5) 0.000 S2 0.0293(5) 0.0352(5) 0.0237(5) 0.000 0.0165(4) 0.000 S3 0.0263(4) 0.0251(3) 0.0265(3) -0.0016(3) 0.0138(3) 0.0019(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cs1 S2 5_556 3.6229(13) y Cs1 S2 1_554 3.6256(12) y Cs1 S3 . 3.6866(8) y Cs1 S3 6 3.6866(8) y Cs1 S1 . 3.7132(13) y Cs1 S1 7_556 3.7170(5) y Cs1 S1 7_546 3.7170(5) y Cs1 S3 7_556 3.7200(9) y Cs1 S3 4_546 3.7200(9) y Cs1 Ge1 . 4.1196(6) n Cs1 Cs2 . 4.5857(7) n Cs1 Cs2 3_445 4.8369(6) n Cs2 S1 1_554 3.4979(13) y Cs2 S1 5_656 3.5177(13) y Cs2 S2 1_554 3.6241(14) y Cs2 S3 7_556 3.6289(8) y Cs2 S3 4_546 3.6289(8) y Cs2 S3 8 3.7040(9) y Cs2 S3 3_545 3.7040(9) y Cs2 S2 7_546 3.7176(5) y Cs2 S2 7_556 3.7176(5) y Cs2 Ge1 1_554 3.9977(9) n Cs2 Ge1 7_556 4.2959(5) n Cs2 Ge1 7_546 4.2959(5) n Ge1 S2 . 2.1428(11) y Ge1 S1 . 2.1528(12) y Ge1 S3 6 2.2891(8) y Ge1 S3 . 2.2891(8) y Ge1 Cs2 1_556 3.9977(9) n Ge1 Cs2 7_556 4.2959(5) n Ge1 Cs2 7_546 4.2959(5) n S1 Cs2 1_556 3.4979(13) n S1 Cs2 5_656 3.5177(13) n S1 Cs1 7_556 3.7170(5) n S1 Cs1 7_546 3.7170(5) n S2 Cs1 5_556 3.6229(13) n S2 Cs2 1_556 3.6241(14) n S2 Cs1 1_556 3.6256(12) n S2 Cs2 7_546 3.7176(5) n S2 Cs2 7_556 3.7176(5) n S3 S3 2_556 2.0767(15) y S3 Cs2 7_556 3.6289(8) n S3 Cs2 3_455 3.7040(9) n S3 Cs1 7_556 3.7200(9) n