#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/01/9010160.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_9010160
loop_
_publ_author_name
'Popovic, J.'
'Tkalcec, E.'
'Grzeta, B.'
'Kurajica, S.'
'Schmauch, J.'
_publ_section_title
;
 Cobalt incorporation in mullite
 Sample: MU1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              408
_journal_page_last               411
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Al2.25 Co0.015 O4.86 Si0.735'
_chemical_name_mineral           Mullite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.5618
_cell_length_b                   7.6882
_cell_length_c                   2.8860
_cell_volume                     167.782
_exptl_crystal_density_diffrn    3.167
_[local]_cod_chemical_formula_sum_orig 'Al2.25 Co.015 Si.735 O4.86'
_cod_database_code               9010160
_amcsd_database_code             AMCSD#0004280
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
x,y,-z
-x,-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
AlM1 0.00000 0.00000 0.00000 0.98500 0.00367
CoM1 0.00000 0.00000 0.00000 0.01500 0.00367
AlT 0.14970 0.33980 0.50000 0.49250 0.00532
SiT 0.14970 0.33980 0.50000 0.36750 0.00532
AlT* 0.26400 0.20300 0.50000 0.14000 0.00519
Oab 0.35810 0.42160 0.50000 1.00000 0.00279
Od 0.12890 0.22020 0.00000 1.00000 0.00507
Oc 0.50000 0.00000 0.50000 0.58000 0.01077
Oc* 0.44700 0.05600 0.50000 0.14000 0.01368