#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002523.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_9002523
loop_
_publ_author_name
'Malcherek, T.'
'Domeneghetti, M. C.'
'Tazzoli, V.'
'Ottolini, L.'
'McCammon, C. A.'
'Carpenter, M. A.'
_publ_section_title
;
 Structural properties of ferromagnesian cordierites
 Sample:126231 Tanzania, T = 900 C, t = 24h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              66
_journal_page_last               79
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3.976 Fe0.208 Mg1.816 Na0.086 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_formula_units_Z            4
_cell_length_a                   17.089
_cell_length_b                   9.729
_cell_length_c                   9.350
_cell_volume                     1554.521
_database_code_amcsd             0002612
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    2.536
_cod_original_formula_sum        'Mg1.816 Fe.208 Al3.976 Si5 O18 Na.086'
_cod_database_code               9002523
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_occupancy
_atom_site_U_iso_or_equiv
MgM 0.33750 0.00000 0.25000 0.90800 0.00648
FeM 0.33750 0.00000 0.25000 0.09200 0.00648
AlT11 0.25000 0.25000 0.25014 0.98800 0.00580
FeT11 0.25000 0.25000 0.25014 0.01200 0.00580
SiT16 0.00000 0.50000 0.25000 1.00000 0.00468
SiT21 0.19241 0.07782 0.00000 1.00000 0.00419
SiT23 0.13509 -0.23748 0.00000 1.00000 0.00427
AlT26 0.05078 0.30787 0.00000 1.00000 0.00452
O11 0.24706 -0.10275 0.35876 1.00000 0.00777
O16 0.06229 -0.41607 0.34893 1.00000 0.00745
O13 -0.17325 -0.31013 0.35842 1.00000 0.00779
O26 0.04320 -0.24863 0.00000 1.00000 0.01139
O21 0.12219 0.18450 0.00000 1.00000 0.01137
O23 0.16419 -0.07953 0.00000 1.00000 0.01107
NaCh2 0.00000 0.00000 0.00000 0.08600 0.06600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002612
