#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/58/9005804.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_9005804
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 = 1.2 GPa
;
_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_compound_source        'Zabargad island, Red Sea'
_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                   17.013
_cell_length_b                   9.680
_cell_length_c                   9.3035
_cell_formula_units_Z            4
_cell_volume                     1532.155
_database_code_amcsd             0007386
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    2.536
_cod_original_formula_sum        'Mg2 Al4 Si5 O18'
_cod_database_code               9005804
loop_
_space_group_symop_operation_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 0.16220 0.50000 0.25000 0.00690
Al11 0.25000 0.25000 0.25030 0.00720
Si16 0.00000 0.50000 0.25000 0.00610
Si21 0.19300 0.07790 0.00000 0.00420
Al26 0.05060 0.30830 0.00000 0.00510
Si23 -0.13510 0.23740 0.00000 0.00570
O11 0.24740 0.10310 0.14210 0.00680
O16 0.06240 0.41540 0.15060 0.00780
O13 -0.17330 0.31160 0.14230 0.00780
O21 0.12280 0.18510 0.00000 0.01120
O26 -0.04280 0.24800 0.00000 0.00820
O23 -0.16470 0.08060 0.00000 0.01060
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007386
