#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/1/1008488.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_1008488 _chemical_name_systematic 'Erbium silicide (2/3.3)' _chemical_formula_structural 'Er2 Si3.333' _chemical_formula_sum 'Er2 Si3.333' _publ_section_title ; Crystallographic and magnetic structures of Er~3~Si~5~ ; loop_ _publ_author_name 'Auffret, S' 'Pierre, J' 'Lambert, B' 'Soubeyroux, J L' 'Chroboczek, J A' _journal_name_full 'Physica B (152, 1988-)' _journal_coden_ASTM PHYBE3 _journal_volume 162 _journal_year 1990 _journal_page_first 271 _journal_page_last 280 _cell_length_a 6.538(2) _cell_length_b 3.793(2) _cell_length_c 4.082(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 101.2 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P m m m' _symmetry_Int_Tables_number 47 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' 'x,-y,-z' '-x,y,-z' '-x,-y,-z' 'x,y,-z' '-x,y,z' 'x,-y,z' loop_ _atom_type_symbol _atom_type_oxidation_number Er0 0.000 Si0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Er1 Er0 1 c 0. 0. 0.5 1. 0 d Er2 Er0 1 h 0.5 0.5 0.5 1. 0 d Si1 Si0 2 k 0.897(2) 0.5 0. 1. 0 d Si2 Si0 2 i 0.328(2) 0. 0. 0.667 0 d _refine_ls_R_factor_all 0.082