#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000317.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_9000317
loop_
_publ_author_name
'Brown, G. E.'
'Prewitt, C. T.'
_publ_section_title
;
 High-temperature crystal chemistry of hortonolite
 sample #12052 T = 375 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            'Ca0.01 Fe0.61 Mg1.38 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                   4.795
_cell_length_b                   10.337
_cell_length_c                   6.045
_cell_formula_units_Z            4
_cell_volume                     299.626
_database_code_amcsd             0000326
_diffrn_ambient_temperature      648.15
_exptl_crystal_density_diffrn    3.549
_cod_original_formula_sum        'Si Mg1.38 Fe.61 Ca.01 O4'
_cod_database_code               9000317
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
Si 0.42790 0.09520 0.25000 1.00000
Mg1 0.00000 0.00000 0.00000 0.67700
Fe1 0.00000 0.00000 0.00000 0.32300
Mg2 0.98860 0.27880 0.25000 0.70300
Fe2 0.98860 0.27880 0.25000 0.28700
Ca2 0.98860 0.27880 0.25000 0.01000
O1 0.76540 0.09190 0.25000 1.00000
O2 0.21770 0.44960 0.25000 1.00000
O3 0.28160 0.16360 0.03480 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000326
