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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/06/9010679.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_9010679
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 = 200 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                   4.86743
_cell_length_b                   10.6011
_cell_length_c                   6.18226
_cell_volume                     319.005
_database_code_amcsd             0006657
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    4.224
_cod_original_formula_sum        '(Fe Mn) Si O4'
_cod_database_code               9010679
_amcsd_formula_title             FeMnSiO4
loop_
_space_group_symop_operation_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 0.67100 0.00887
MnM1 0.00000 0.00000 0.00000 0.32900 0.00887
MnM2 0.97500 0.28460 0.25000 0.67100 0.00887
FeM2 0.97500 0.28460 0.25000 0.32900 0.00887
Si 0.42740 0.09650 0.25000 1.00000 0.00595
O1 0.76250 0.09250 0.25000 1.00000 0.01102
O2 0.21310 0.45420 0.25000 1.00000 0.01115
O3 0.28790 0.16390 0.03900 1.00000 0.01115