#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000315.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_9000315
loop_
_publ_author_name
'Brown, G. E.'
'Prewitt, C. T.'
_publ_section_title
;
 High-temperature crystal chemistry of hortonolite
 sample #OG2B at T = 24 C
 Note: variety hortonolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              577
_journal_page_last               587
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Fe0.58 Mg1.42 O4 Si'
_chemical_name_mineral           Forsterite
_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                   4.775
_cell_length_b                   10.28
_cell_length_c                   6.016
_cell_volume                     295.307
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.576
_cod_original_formula_sum        'Si (Mg1.42 Fe.58) O4'
_cod_database_code               9000315
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00219 0.00428 0.00422 0.00025 0.00000 0.00000
Mg1 0.00289 0.00696 0.00403 0.00025 -0.00029 -0.00016
Fe1 0.00289 0.00696 0.00403 0.00025 -0.00029 -0.00016
Mg2 0.00520 0.00482 0.00477 0.00050 0.00000 0.00000
Fe2 0.00520 0.00482 0.00477 0.00050 0.00000 0.00000
O1 0.00347 0.00857 0.00623 0.00075 0.00000 0.00000
O2 0.00566 0.00535 0.00605 -0.00099 0.00000 0.00000
O3 0.00474 0.00857 0.00568 0.00025 -0.00015 0.00188
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si 0.42750 0.09500 0.25000 1.00000
Mg1 0.00000 0.00000 0.00000 0.70800
Fe1 0.00000 0.00000 0.00000 0.29200
Mg2 0.98800 0.27820 0.25000 0.71200
Fe2 0.98800 0.27820 0.25000 0.28800
O1 0.76660 0.09190 0.25000 1.00000
O2 0.21790 0.44890 0.25000 1.00000
O3 0.28060 0.16380 0.03400 1.00000