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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/58/9005803.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_9005803
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 = 0.9 GPa
 Locality: Zabargad island, Red Sea
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              165
_journal_page_last               173
_journal_paper_doi               10.1007/BF00308159
_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                   17.040
_cell_length_b                   9.702
_cell_length_c                   9.320
_cell_volume                     1540.802
_diffrn_ambient_pressure         9e+05
_exptl_crystal_density_diffrn    2.522
_cod_original_formula_sum        'Mg2 Al4 Si5 O18'
_cod_database_code               9005803
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 0.16260 0.50000 0.25000 0.00690
Al11 0.25000 0.25000 0.25000 0.00740
Si16 0.00000 0.50000 0.25000 0.00630
Si21 0.19300 0.07800 0.00000 0.00550
Al26 0.05090 0.30770 0.00000 0.00580
Si23 -0.13520 0.23780 0.00000 0.00640
O11 0.24730 0.10320 0.14160 0.00710
O16 0.06180 0.41580 0.15110 0.00840
O13 -0.17330 0.31100 0.14100 0.00670
O21 0.12280 0.18420 0.00000 0.01000
O26 -0.04310 0.24850 0.00000 0.01160
O23 -0.16500 0.07950 0.00000 0.00990