#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9003456.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_9003456 _chemical_name 'MgSiO3' loop_ _publ_author_name 'Dobson D P' 'Jacobsen S D' _journal_name_full "American Mineralogist" _journal_volume 89 _journal_year 2004 _journal_page_first 807 _journal_page_last 811 _publ_section_title ; The flux growth of magnesium silicate perovskite single crystals ; _chemical_formula_sum 'Mg Si O3' _cell_length_a 4.7780 _cell_length_b 4.9298 _cell_length_c 6.8990 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 162.503 _symmetry_space_group_name_H-M 'P b n m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,y,1/2-z' '-x,-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,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Mg 0.51378 0.55588 0.25000 0.00830 Si 0.50000 0.00000 0.50000 0.00580 O1 0.10189 0.46645 0.25000 0.00730 O2 0.19626 0.20133 0.55258 0.00750