#------------------------------------------------------------------------------ #$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000274.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9000274 loop_ _publ_author_name 'Baur, W. H.' _publ_section_title ; Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 polymorphs of low and high density Sr2PbO4 structure ; _journal_name_full 'American Mineralogist' _journal_page_first 709 _journal_page_last 731 _journal_volume 57 _journal_year 1972 _chemical_formula_sum 'Mg2 O4 Si' _chemical_name_mineral Mg2SiO4 _space_group_IT_number 55 _symmetry_space_group_name_Hall '-P 2 2ab' _symmetry_space_group_name_H-M 'P b a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.98 _cell_length_b 8.85 _cell_length_c 2.75 _cell_volume 121.201 _exptl_crystal_density_diffrn 3.855 _[local]_cod_chemical_formula_sum_orig 'Si Mg2 O4' _cod_database_code 9000274 _amcsd_database_code AMCSD#0000282 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,-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 Si 0.00000 0.00000 0.00000 Mg 0.08190 0.33290 0.50000 O1 0.21640 0.04480 0.50000 O2 0.39250 0.30870 0.00000