#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010677.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_9010677
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 = 20 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              287
_journal_page_last               300
_journal_volume                  9
_journal_year                    1997
_chemical_formula_sum            'Fe Mn O4 Si'
_chemical_name_mineral           FeMnSiO4
_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                   4.86145
_cell_length_b                   10.5839
_cell_length_c                   6.16980
_cell_volume                     317.455
_diffrn_ambient_temperature      293.15
_[local]_cod_data_source_file    06044.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig '(Fe Mn) Si O4'
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 0.67400 0.00469
MnM1 0.00000 0.00000 0.00000 0.32600 0.00469
MnM2 0.97000 0.28210 0.25000 0.67400 0.00469
FeM2 0.97000 0.28210 0.25000 0.32600 0.00469
Si 0.42720 0.09630 0.25000 1.00000 0.00279
O1 0.76310 0.09230 0.25000 1.00000 0.00697
O2 0.21350 0.45400 0.25000 1.00000 0.00659
O3 0.28720 0.16380 0.03850 1.00000 0.00633