#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000007.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_1000007 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 = 1 atm ; _journal_name_full 'American Mineralogist' _journal_page_first 177 _journal_page_last 186 _journal_volume 93 _journal_year 2008 _chemical_formula_sum 'Ca Mg O6 Si2' _chemical_name_mineral Diopside _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.00000 _cell_angle_beta 105.86600 _cell_angle_gamma 90.00000 _cell_length_a 9.73970 _cell_length_b 8.91740 _cell_length_c 5.25030 _diffrn_ambient_pressure 100 _exptl_crystal_density_diffrn 3.279 _[local]_cod_cif_authors_sg_H-M C2/c _[local]_cod_chemical_formula_sum_orig 'Ca Mg Si2 O6' _cod_database_code 1000007 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv Mg Mg 0.00000 0.90808 0.25000 Uiso 0.00393 Ca Ca 0.00000 0.30148 0.25000 Uiso 0.00823 Si Si 0.28619 0.09319 0.22936 Uiso 0.00431 O1 O 0.11554 0.08690 0.14186 Uiso 0.00697 O2 O 0.36094 0.25019 0.31776 Uiso 0.00785 O3 O 0.35073 0.01744 0.99543 Uiso 0.00709 _amcsd_database_code AMCSD#0004494