#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002524.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_9002524
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: Zimbabwe, 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            'Al3.984 Fe0.266 Mg1.75 Na0.074 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_formula_units_Z            4
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.096
_cell_length_b                   9.729
_cell_length_c                   9.342
_cell_volume                     1553.827
_database_code_amcsd             0002613
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    2.543
_cod_original_formula_sum        'Mg1.75 Fe.266 Al3.984 Si5 O18 Na.074'
_cod_database_code               9002524
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 0.87500 0.00678
FeM 0.33748 0.00000 0.25000 0.12500 0.00678
AlT11 0.25000 0.25000 0.25010 0.99200 0.00599
FeT11 0.25000 0.25000 0.25010 0.00800 0.00599
SiT16 0.00000 0.50000 0.25000 1.00000 0.00505
SiT21 0.19230 0.07793 0.00000 1.00000 0.00452
SiT23 0.13508 -0.23728 0.00000 1.00000 0.00458
AlT26 0.05070 0.30776 0.00000 1.00000 0.00480
O11 0.24692 -0.10287 0.35864 1.00000 0.00804
O16 0.06223 -0.41597 0.34892 1.00000 0.00770
O13 -0.17333 -0.30993 0.35840 1.00000 0.00806
O26 0.04327 -0.24890 0.00000 1.00000 0.01181
O21 0.12214 0.18465 0.00000 1.00000 0.01157
O23 0.16414 -0.07939 0.00000 1.00000 0.01133
NaCh2 0.00000 0.00000 0.00000 0.07400 0.08300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002613
