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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/9/9005805.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_9005805
loop_
_publ_author_name
'Koepke, J.'
'Schulz, H.'
_publ_section_title
;
 Single crystal structure investigations under high-pressure of the
 mineral cordierite with an improved high-pressure cell
 Sample: P = 2.3 GPa
 Locality: Zabargad island, Red Sea
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              165
_journal_page_last               173
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Al4 Mg2 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.990
_cell_length_b                   9.680
_cell_length_c                   9.293
_cell_volume                     1528.357
_diffrn_ambient_pressure         2.3e+06
_exptl_crystal_density_diffrn    2.542
_[local]_cod_chemical_formula_sum_orig 'Mg2 Al4 Si5 O18'
_cod_database_code               9005805
_amcsd_database_code             AMCSD#0007326
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,1/2+z
1/2-x,1/2+y,1/2+z
x,-y,1/2-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2-x,1/2-y,z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg 0.16240 0.50000 0.25000 0.00840
Al11 0.25000 0.25000 0.25030 0.00750
Si16 0.00000 0.50000 0.25000 0.00810
Si21 0.19320 0.07690 0.00000 0.00600
Al26 0.05140 0.30760 0.00000 0.00630
Si23 -0.13500 0.23680 0.00000 0.00620
O11 0.24760 0.10220 0.14200 0.00920
O16 0.06250 0.41570 0.15030 0.00750
O13 -0.17340 0.31380 0.14150 0.01220
O21 0.12390 0.18250 0.00000 0.00990
O26 -0.04240 0.24620 0.00000 0.01290
O23 -0.16560 0.07780 0.00000 0.01320