#------------------------------------------------------------------------------ #$Date: 2009-11-21 12:50:34 +0200 (Sat, 21 Nov 2009) $ #$Revision: 900 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1000016.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_1000016 loop_ _publ_author_name 'Downs R T' 'Thompson R M' _publ_section_title ; The crystal structure of diopside to 10 GPa Sample at P = 10.16 GPa ; _journal_name_full 'Crystallography Open Database, 7 March 2003' _chemical_name_mineral Diopside _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.00000 _cell_angle_beta 105.03300 _cell_angle_gamma 90.00000 _cell_length_a 9.51640 _cell_length_b 8.64490 _cell_length_c 5.12460 _diffrn_ambient_pressure 1.016e+07 _[local]_cod_cif_authors_sg_H-M C2/c loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv MgM1 0.00000 0.91075 0.25000 0.00557 CaM2 0.00000 0.30587 0.25000 0.00849 Si 0.28610 0.09554 0.22718 0.00595 O1 0.11538 0.08832 0.14178 0.00722 O2 0.35921 0.25714 0.32226 0.00861 O3 0.35409 0.02340 0.98725 0.00849