#------------------------------------------------------------------------------ #$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001069.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9001069 loop_ _publ_author_name 'Miyake, M.' 'Nakamura, H.' 'Kojima, H.' 'Marumo, F.' _publ_section_title ; Cation ordering in Co-Mg olivine solid-solution series Sample: Co20 ; _journal_name_full 'American Mineralogist' _journal_page_first 594 _journal_page_last 598 _journal_volume 72 _journal_year 1987 _chemical_formula_sum 'Co2 O4 Si' _chemical_name_mineral Olivine _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.781 _cell_length_b 10.296 _cell_length_c 5.998 _cell_volume 295.253 _exptl_crystal_density_diffrn 4.723 _[local]_cod_chemical_formula_sum_orig 'Co2 Si O4' _cod_database_code 9001069 _amcsd_database_code AMCSD#0001090 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_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co1 0.00480 0.00680 0.00500 0.00000 -0.00060 -0.00100 Co2 0.00580 0.00510 0.00550 0.00010 0.00000 0.00000 Si 0.00350 0.00490 0.00440 0.00010 0.00000 0.00000 O1 0.00460 0.00640 0.00620 0.00000 0.00000 0.00000 O2 0.00620 0.00520 0.00690 0.00040 0.00000 0.00000 O3 0.00630 0.00790 0.00570 0.00090 -0.00070 0.00170 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Co1 0.00000 0.00000 0.00000 Co2 0.99120 0.27650 0.25000 Si 0.42830 0.09490 0.25000 O1 0.76750 0.09180 0.25000 O2 0.21580 0.44860 0.25000 O3 0.28180 0.16410 0.03390