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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010682.cif $
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#
# 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_9010682
loop_
_publ_author_name
'Redfern, S. A. T.'
'Henderson, C. M. B.'
'Knight, K. S.'
'Wood, B. J.'
_publ_section_title
;
 High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4
 olivines: an in situ neutron diffraction study
 Sample: T = 450 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              287
_journal_page_last               300
_journal_volume                  9
_journal_year                    1997
_chemical_formula_structural     FeMnSiO4
_chemical_formula_sum            'Fe Mn O4 Si'
_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                   4.87826
_cell_length_b                   10.6312
_cell_length_c                   6.20213
_cell_volume                     321.653
_diffrn_ambient_temperature      723.15
_exptl_crystal_density_diffrn    4.189
_[local]_cod_chemical_formula_sum_orig '(Fe Mn) Si O4'
_cod_database_code               9010682
_amcsd_database_code             AMCSD#0006602
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
_atom_site_U_iso_or_equiv
FeM1 0.00000 0.00000 0.00000 0.67900 0.01418
MnM1 0.00000 0.00000 0.00000 0.32100 0.01418
MnM2 0.96500 0.28890 0.25000 0.67900 0.01418
FeM2 0.96500 0.28890 0.25000 0.32100 0.01418
Si 0.42700 0.09650 0.25000 1.00000 0.00925
O1 0.76130 0.09310 0.25000 1.00000 0.01672
O2 0.21380 0.45480 0.25000 1.00000 0.01773
O3 0.28760 0.16390 0.03970 1.00000 0.01608