#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005270.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_9005270 _chemical_name 'Tridymite' loop_ _publ_author_name 'Graetsch H' 'Topalovic-Dierdorf I' _journal_name_full "European Journal of Mineralogy" _journal_volume 8 _journal_year 1996 _journal_page_first 103 _journal_page_last 113 _publ_section_title ; 29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: average crystal structure ; _chemical_formula_sum 'Si O2' _cell_length_a 5.007 _cell_length_b 8.6004 _cell_length_c 8.2169 _cell_angle_alpha 90 _cell_angle_beta 91.512 _cell_angle_gamma 90 _cell_volume 353.715 _symmetry_space_group_name_H-M 'C 1 c 1' 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Si1 0.07640 0.30730 0.21080 0.05200 Si2 0.07730 0.35920 0.83520 0.05200 O1 0.28850 0.75300 0.25340 0.04400 O2 0.14400 0.46470 0.30820 0.08500 O3 0.28840 0.17970 0.27030 0.13800 O4 0.58260 0.16680 0.51980 0.18800