data_global _amcsd_formula_title 'SiS2' loop_ _publ_author_name 'Gibbs G V' 'Boisen M B' 'Downs R T' 'Lasaga A C' _journal_name_full 'Materials Research Society Symposia Proceedings' _journal_volume 121 _journal_year 1988 _journal_page_first 155 _journal_page_last 165 _publ_section_title ; Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S ; _database_code_amcsd 0018758 _chemical_compound_source 'theoretical, cristobalite structure' _chemical_formula_sum 'Si S2' _cell_length_a 5.888 _cell_length_b 5.888 _cell_length_c 6.806 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 235.954 _exptl_crystal_density_diffrn 2.596 _symmetry_space_group_name_H-M 'P 41 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,1/4+z' '1/2-x,1/2+y,1/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,3/4+z' '1/2+x,1/2-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.35700 0.35700 0.00000 S 0.20400 0.21400 0.25600