#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002522.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_9002522
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: 1997-1 SE-India, T = 900 C, t = 24 h, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              66
_journal_page_last               79
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3.976 Fe0.054 Mg1.976 Na0.067 O18 Si4.994'
_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                   17.071
_cell_length_b                   9.717
_cell_length_c                   9.3479
_cell_formula_units_Z            4
_cell_volume                     1550.619
_database_code_amcsd             0002611
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    2.519
_cod_original_formula_sum        'Mg1.976 Fe.054 Al3.976 Si4.994 O18 Na.067'
_cod_database_code               9002522
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 0.33748 0.00000 0.25000 0.98800 0.00620
FeM 0.33748 0.00000 0.25000 0.01200 0.00620
AlT11 0.25000 0.25000 0.25011 0.98800 0.00525
FeT11 0.25000 0.25000 0.25011 0.01200 0.00525
SiT16 0.00000 0.50000 0.25000 0.99400 0.00438
FeT16 0.00000 0.50000 0.25000 0.00600 0.00438
SiT21 0.19262 0.07779 0.00000 1.00000 0.00376
SiT23 0.13516 -0.23764 0.00000 1.00000 0.00385
AlT26 0.05083 0.30787 0.00000 1.00000 0.00403
O11 0.24734 -0.10261 0.35881 1.00000 0.00700
O16 0.06241 -0.41623 0.34899 1.00000 0.00679
O13 -0.17334 -0.31051 0.35846 1.00000 0.00703
O26 0.04329 -0.24896 0.00000 1.00000 0.01068
O21 0.12251 0.18478 0.00000 1.00000 0.01048
O23 0.16447 -0.07972 0.00000 1.00000 0.01032
NaCh2 0.00000 0.00000 0.00000 0.06700 0.12400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002611
