#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000788.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000788
loop_
_publ_author_name
'Francis C A'
'Ribbe P H'
_publ_section_title
;
 The forsterite-tephroite series: I. Crystal structure refinements
 Te 91
 olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1263
_journal_page_last               1269
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Mn1.83 Mg.17 Si O4'
_chemical_name_mineral           Tephroite
_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
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_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
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