#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000393.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_9000393
loop_
_publ_author_name
'Morimoto N'
'Tokonami M'
'Watanabe M'
'Koto K'
_publ_section_title
;
 Crystal structures of three polymorphs of Co2SiO4
 wadsleyite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              475
_journal_page_last               485
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Co2 O4 Si'
_[local]_cod_chemical_formula_sum_orig 'Si Co2 O4'
_chemical_name_mineral           Co2SiO4
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.753
_cell_length_b                   11.524
_cell_length_c                   8.340
_cell_volume                     552.922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.00000 0.12110 0.61690
Co1 0.00000 0.00000 0.00000
Co2 0.00000 0.25000 -0.02860
Co3 0.25000 0.12410 0.25000
O1 0.00000 0.25000 0.21750
O2 0.00000 0.25000 0.71540
O3 0.00000 -0.01410 0.25670
O4 0.26630 0.12270 -0.00830
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 0.00486 0.00538 0.00317 0.00000 0.00000 -0.00049
Co1 0.00503 0.00336 0.00670 0.00000 0.00000 -0.00049
Co2 0.00838 0.00538 0.00493 0.00000 0.00000 0.00000
Co3 0.00620 0.00538 0.00670 0.00000 -0.00049 0.00000
O1 0.00268 0.00942 0.00881 0.00000 0.00000 0.00000
O2 0.00285 0.01211 0.00423 0.00000 0.00000 0.00000
O3 0.00905 0.01144 0.00458 0.00000 0.00000 0.00097
O4 0.01224 0.00135 0.00740 0.00067 -0.00122 -0.00097