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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/43/9004325.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_9004325
loop_
_publ_author_name
'Liang, J.'
'Hawthorne, F. C.'
_publ_section_title
;Characterization of fine-grained mixtures of rock-forming minerals by
 Rietveld structure refinement: olivine + pyroxene Sample: P2 Rietveld, 19.9%
 olivine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              541
_journal_page_last               552
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Fe0.246 Mg1.754 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                   4.7659
_cell_length_b                   10.2414
_cell_formula_units_Z            4
_cell_length_c                   5.9983
_cell_volume                     292.774
_database_code_amcsd             0005398
_exptl_crystal_density_diffrn    3.368
_cod_original_formula_sum        'Si (Mg1.754 Fe.246) O4'
_cod_database_code               9004325
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
Si 0.42000 0.09600 0.25000 1.00000 0.00494
MgM1 0.00000 0.00000 0.00000 0.85400 0.00507
FeM1 0.00000 0.00000 0.00000 0.14600 0.00507
MgM2 0.99000 0.27700 0.25000 0.90000 0.00519
FeM2 0.99000 0.27700 0.25000 0.10000 0.00519
O1 0.76600 0.09300 0.25000 1.00000 0.00633
O2 0.22300 0.44300 0.25000 1.00000 0.00608
O3 0.26400 0.16700 0.02300 1.00000 0.00659
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005398
