#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016289.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_9016289
loop_
_publ_author_name
'Hazen, R. M.'
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 900 deg C,P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              286
_journal_page_last               295
_journal_volume                  62
_journal_year                    1977
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'Fe1.1 Mg0.75 Mn0.15 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                   4.838
_cell_length_b                   10.490
_cell_length_c                   6.136
_cell_volume                     311.406
_database_code_amcsd             0000573
_exptl_crystal_density_diffrn    3.839
_cod_original_formula_sum        '(Fe1.1 Mg.75 Mn.15) Si O4'
_cod_database_code               9016289
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
Fe1 0.00000 0.00000 0.00000 0.56200 0.03002
Mg1 0.00000 0.00000 0.00000 0.36100 0.03002
Mn1 0.00000 0.00000 0.00000 0.07700 0.03002
Fe2 0.99400 0.27990 0.25000 0.53800 0.02140
Mg2 0.99400 0.27990 0.25000 0.38900 0.02140
Mn2 0.99400 0.27990 0.25000 0.07300 0.02140
Si 0.44500 0.09590 0.25000 1.00000 0.01343
O1 0.81400 0.08820 0.25000 1.00000 0.03344
O2 0.21000 0.45030 0.25000 1.00000 0.01127
O3 0.28000 0.16150 0.04470 1.00000 0.02330
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000573
