#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9006861.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_9006861 _chemical_name 'GeO2' loop_ _publ_author_name 'Haines J' 'Leger J M' 'Chateau C' 'Pereira A S' _journal_name_full "Physics and Chemistry of Minerals" _journal_volume 27 _journal_year 2000 _journal_page_first 575 _journal_page_last 582 _publ_section_title ; Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 35 GPa Note: O y-coordinate altered from the reported value ; _chemical_formula_sum 'Ge O2' _cell_length_a 4.2834 _cell_length_b 4.1508 _cell_length_c 2.7941 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 49.678 _symmetry_space_group_name_H-M 'P n n m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ge 0.00000 0.00000 0.00000 O 0.33600 0.25500 0.00000