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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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'
_[local]_cod_chemical_formula_sum_orig 'Co2 Si O4'
_chemical_name_mineral           Olivine
_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
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
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
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
_cod_database_code 9001069