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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000787.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_9000787
loop_
_publ_author_name
'Francis, C. A.'
'Ribbe, P. H.'
_publ_section_title
;
 The forsterite-tephroite series: I. Crystal structure refinements
 Sample: Fo51 olivine
 Locality: Langban, Sweden
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1263
_journal_page_last               1269
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Mg1.03 Mn0.97 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                   4.794
_cell_length_b                   10.491
_cell_length_c                   6.123
_cell_volume                     307.949
_exptl_crystal_density_diffrn    3.676
_[local]_cod_chemical_formula_sum_orig 'Mg1.03 Mn.97 Si O4'
_cod_database_code               9000787
_amcsd_database_code             AMCSD#0000800
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
Mg1 0.00361 0.00753 0.00475 -0.00025 -0.00074 -0.00111
Mn2 0.00710 0.00647 0.00695 0.00061 0.00000 0.00000
Mg2 0.00710 0.00647 0.00695 0.00061 0.00000 0.00000
Si 0.00361 0.00535 0.00475 0.00000 0.00000 0.00000
O1 0.00256 0.00948 0.00703 -0.00051 0.00000 0.00000
O2 0.00466 0.00613 0.00722 -0.00127 0.00000 0.00000
O3 0.00454 0.00725 0.00684 0.00000 0.00000 0.00130
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 0.00000 0.00000 0.00000 1.00000
Mn2 0.98700 0.27900 0.25000 0.97000
Mg2 0.98700 0.27900 0.25000 0.03000
Si 0.42260 0.09100 0.25000 1.00000
O1 0.75850 0.08670 0.25000 1.00000
O2 0.23010 0.44890 0.25000 1.00000
O3 0.27820 0.15900 0.03740 1.00000