#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001101.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_9001101 _chemical_name 'Olivine' loop_ _publ_author_name 'Bostrom D' _journal_name_full "American Mineralogist" _journal_volume 72 _journal_year 1987 _journal_page_first 965 _journal_page_last 972 _publ_section_title ; Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .75 ; _chemical_formula_sum '(Mg.5 Ni1.5) Si O4' _cell_length_a 4.7331 _cell_length_b 10.1565 _cell_length_c 5.9285 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 284.993 _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 Mg1 0.00000 0.00000 0.00000 0.06600 Ni1 0.00000 0.00000 0.00000 0.93400 Mg2 0.99160 0.27430 0.25000 0.43400 Ni2 0.99160 0.27430 0.25000 0.56600 Si 0.42650 0.09380 0.25000 1.00000 O1 0.76780 0.09340 0.25000 1.00000 O2 0.21820 0.44520 0.25000 1.00000 O3 0.27480 0.16290 0.03110 1.00000