data_global _chemical_name_mineral 'Laphamite' loop_ _publ_author_name 'Stergiou A C' 'Rentzeperis P J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 173 _journal_year 1985 _journal_page_first 185 _journal_page_last 191 _publ_section_title ; The crystal structure of arsenic selenide, As2Se3 ; _database_code_amcsd 0010945 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'As2 Se3' _cell_length_a 12.0774 _cell_length_b 9.9037 _cell_length_c 4.2835 _cell_angle_alpha 90 _cell_angle_beta 90.458 _cell_angle_gamma 90 _cell_volume 512.337 _exptl_crystal_density_diffrn 5.014 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv As1 0.23620 0.19670 0.11130 0.01608 As2 0.01080 0.32530 -0.38100 0.01494 Se1 0.09770 0.11820 0.47260 0.01748 Se2 0.15340 0.41040 -0.02570 0.01874 Se3 0.37850 0.29810 0.44360 0.01634 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 As1 0.01490 0.01840 0.01820 0.00060 0.00010 -0.00110 As2 0.01590 0.01640 0.01830 -0.00110 -0.00130 -0.00090 Se1 0.01720 0.01440 0.02320 0.00190 0.00190 0.00030 Se2 0.02010 0.01590 0.02360 -0.00270 -0.00310 -0.00020 Se3 0.01430 0.02050 0.01930 -0.00060 -0.00050 -0.00050