#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9008296.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_9008296 _chemical_name 'SnSe' loop_ _publ_author_name 'Schnering H G' 'Wiedemeier H' _journal_name_full "Zeitschrift fur Kristallographie" _journal_volume 156 _journal_year 1981 _journal_page_first 143 _journal_page_last 150 _publ_section_title ; The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 825 K ; _chemical_formula_sum 'Sn Se' _cell_length_a 4.310 _cell_length_b 11.705 _cell_length_c 4.318 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 217.837 _symmetry_space_group_name_H-M 'C m c m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sn 0.00000 0.12000 0.25000 Se 0.00000 0.35600 0.25000