#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000392.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_9000392 loop_ _publ_author_name 'Morimoto, N.' 'Tokonami, M.' 'Watanabe, M.' 'Koto, K.' _publ_section_title ; Crystal structures of three polymorphs of Co2SiO4 olivine ; _journal_name_full 'American Mineralogist' _journal_page_first 475 _journal_page_last 485 _journal_volume 59 _journal_year 1974 _chemical_formula_structural 'Co2 (Si O4)' _chemical_formula_sum 'Co2 O4 Si' _chemical_name_common Co-Olivine _chemical_name_mineral Co2SiO4 _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 4.782 _cell_length_b 10.302 _cell_length_c 6.003 _cell_volume 295.733 _exptl_crystal_density_diffrn 4.715 _[local]_cod_chemical_formula_sum_orig 'Si Co2 O4' _cod_database_code 9000392 _amcsd_database_code AMCSD#0000400 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 Si 0.00290 0.00699 0.00602 0.00025 0.00000 0.00000 Co1 0.00440 0.00807 0.00621 0.00025 -0.00029 -0.00063 Co2 0.00544 0.00699 0.00712 0.00025 0.00000 0.00000 O1 0.01008 0.00914 0.00748 0.00250 0.00000 0.00000 O2 0.00985 0.01075 0.00584 -0.00150 0.00000 0.00000 O3 0.00788 0.00914 0.00767 -0.00025 0.00102 -0.00063 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.42920 0.09510 0.25000 Co1 0.00000 0.00000 0.00000 Co2 0.99170 0.27650 0.25000 O1 0.76620 0.09240 0.25000 O2 0.21210 0.45040 0.25000 O3 0.28350 0.16390 0.03490