#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/56/9015640.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_9015640
loop_
_publ_author_name
'Redfern, S. A. T.'
'Knight, K. S.'
'Henderson, C. M. B.'
'Wood, B. J.'
_publ_section_title
;
 Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines:
 A neutron diffraction study
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              607
_journal_page_last               615
_journal_paper_doi               10.1180/002646198548007
_journal_volume                  62
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Mn O4 Si'
_chemical_name_mineral           Fayalite
_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                   4.86184
_cell_length_b                   10.58358
_cell_length_c                   6.16950
_cell_formula_units_Z            4
_cell_volume                     317.456
_database_code_amcsd             0019698
_exptl_crystal_density_diffrn    4.245
_cod_original_formula_sum        '(Mn Fe) Si O4'
_cod_database_code               9015640
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
MnM1 0.00000 0.00000 0.00000 0.33400 0.00519
FeM1 0.00000 0.00000 0.00000 0.66600 0.00519
MnM2 0.97860 0.28240 0.25000 0.66600 0.00519
FeM2 0.97860 0.28240 0.25000 0.33400 0.00519
Si 0.42810 0.09610 0.25000 1.00000 0.00456
O1 0.76360 0.09220 0.25000 1.00000 0.00785
O2 0.21320 0.45360 0.25000 1.00000 0.00760
O3 0.28760 0.16380 0.03840 1.00000 0.00747
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019698
