#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000013.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_1000013 loop_ _publ_author_name 'Thompson, R. M.' 'Downs, R. T.' _publ_section_title ; The crystal structure of diopside at pressure to 10 GPa Locality: DeKalb, New York Sample: P = 8.01 GPa ; _journal_name_full 'American Mineralogist' _journal_page_first 177 _journal_page_last 186 _journal_volume 93 _journal_year 2008 _chemical_formula_structural CaMg(Si2O6) _chemical_formula_sum 'Ca Mg O6 Si2' _chemical_name_mineral Diopside _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.00000 _cell_angle_beta 105.14800 _cell_angle_gamma 90.00000 _cell_length_a 9.55570 _cell_length_b 8.69510 _cell_length_c 5.14740 _diffrn_ambient_pressure 8.01e+06 _exptl_crystal_density_diffrn 3.484 _[local]_cod_cif_authors_sg_H-M C2/c _cod_database_code 1000013 _amcsd_database_code AMCSD#0004500 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 0.90998 0.25000 0.00519 CaM2 0.00000 0.30528 0.25000 0.00925 Si 0.28595 0.09523 0.22701 0.00646 O1 0.11494 0.08890 0.14173 0.00874 O2 0.35903 0.25554 0.32144 0.00975 O3 0.35425 0.02211 0.98887 0.00823