#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9006824.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_9006824 _chemical_name '(Co.377Ni.396Zn.227)2SiO4' loop_ _publ_author_name 'Tsukimura K' 'Sasaki S' _journal_name_full "Physics and Chemistry of Minerals" _journal_volume 27 _journal_year 2000 _journal_page_first 234 _journal_page_last 241 _publ_section_title ; Determination of cation distribution in (Co,Ni,Zn)2Si04 olivine by synchrotron X-ray diffraction ; _chemical_formula_sum '(Co.754 Ni.792 Zn.454) Si O4' _cell_length_a 4.7564 _cell_length_b 10.2283 _cell_length_c 5.9696 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 290.420 _symmetry_space_group_name_H-M 'P b n m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv CoM1 0.00000 0.00000 0.00000 0.33400 0.00570 NiM1 0.00000 0.00000 0.00000 0.53900 0.00570 ZnM1 0.00000 0.00000 0.00000 0.12700 0.00570 CoM2 0.98921 0.27662 0.25000 0.42000 0.00610 NiM2 0.98921 0.27662 0.25000 0.25300 0.00610 ZnM2 0.98921 0.27662 0.25000 0.32700 0.00610 Si 0.42660 0.09434 0.25000 1.00000 0.00460 O1 0.76700 0.09230 0.25000 1.00000 0.00610 O2 0.21790 0.44730 0.25000 1.00000 0.00620 O3 0.27870 0.16260 0.03250 1.00000 0.00670