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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000788.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_9000788
loop_
_publ_author_name
'Francis, C. A.'
'Ribbe, P. H.'
_publ_section_title
;
 The forsterite-tephroite series: I. Crystal structure refinements
 Sample: Te 91 olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1263
_journal_page_last               1269
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        Madagascar
_chemical_formula_sum            'Mg0.17 Mn1.83 O4 Si'
_chemical_name_mineral           Tephroite
_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                   4.879
_cell_length_b                   10.589
_cell_length_c                   6.234
_cell_volume                     322.072
_database_code_amcsd             0000802
_exptl_crystal_density_diffrn    4.058
_cod_original_formula_sum        'Mn1.83 Mg.17 Si O4'
_cod_database_code               9000788
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_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
Mn1 0.00699 0.01250 0.00945 0.00000 -0.00108 -0.00234
Mg1 0.00699 0.01250 0.00945 0.00000 -0.00108 -0.00234
Mn2 0.00808 0.00778 0.00886 0.00026 0.00000 0.00000
Si 0.00651 0.00795 0.00886 0.00026 0.00000 0.00000
O1 0.00350 0.01420 0.01319 0.00026 0.00000 0.00000
O2 0.00687 0.00795 0.01103 -0.00052 0.00000 0.00000
O3 0.00904 0.01079 0.00965 0.00052 0.00000 0.00134
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 0.00000 0.00000 0.00000 0.83000
Mg1 0.00000 0.00000 0.00000 0.17000
Mn2 0.98770 0.28010 0.25000 1.00000
Si 0.42650 0.09510 0.25000 1.00000
O1 0.75740 0.09140 0.25000 1.00000
O2 0.21620 0.45250 0.25000 1.00000
O3 0.28750 0.16250 0.04010 1.00000