#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001068.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_9001068
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: Co18
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               598
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Co1.735 Mg0.265 O4 Si'
_[local]_cod_chemical_formula_sum_orig '(Co1.735 Mg.265) 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                   4.780
_cell_length_b                   10.290
_cell_length_c                   5.997
_cell_volume                     294.970
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
Co1 0.00000 0.00000 0.00000 0.92800
Mg1 0.00000 0.00000 0.00000 0.07200
Co2 0.99110 0.27650 0.25000 0.80700
Mg2 0.99110 0.27650 0.25000 0.19300
Si 0.42770 0.09480 0.25000 1.00000
O1 0.76650 0.09210 0.25000 1.00000
O2 0.21540 0.44830 0.25000 1.00000
O3 0.28160 0.16410 0.03370 1.00000
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 0.00360 0.00760 0.00720 -0.00010 -0.00060 -0.00110
Mg1 0.00360 0.00760 0.00720 -0.00010 -0.00060 -0.00110
Co2 0.00500 0.00600 0.00810 -0.00010 0.00000 0.00000
Mg2 0.00500 0.00600 0.00810 -0.00010 0.00000 0.00000
Si 0.00270 0.00580 0.00720 0.00020 0.00000 0.00000
O1 0.00370 0.00960 0.00880 -0.00030 0.00000 0.00000
O2 0.00530 0.00560 0.01040 0.00030 0.00000 0.00000
O3 0.00690 0.00880 0.00800 0.00040 -0.00050 0.00150
_cod_database_code 9001068