#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002527.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_9002527
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: Great Bear Lake, T = 900 C, t = 24 h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              66
_journal_page_last               79
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3.976 Fe0.581 Mg1.45 Na0.021 O18 Si4.993'
_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                   17.132
_cell_length_b                   9.744
_cell_length_c                   9.330
_cell_formula_units_Z            4
_cell_volume                     1557.496
_database_code_amcsd             0002616
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    2.574
_cod_original_formula_sum        'Mg1.45 Fe.581 Al3.976 Si4.993 O18 Na.021'
_cod_database_code               9002527
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 0.33757 0.00000 0.25000 0.72500 0.00649
FeM 0.33757 0.00000 0.25000 0.27500 0.00649
AlT11 0.25000 0.25000 0.25004 0.98800 0.00593
FeT11 0.25000 0.25000 0.25004 0.01200 0.00593
SiT16 0.00000 0.50000 0.25000 0.99300 0.00510
FeT16 0.00000 0.50000 0.25000 0.00700 0.00510
SiT21 0.19183 0.07819 0.00000 1.00000 0.00423
SiT23 0.13504 -0.23677 0.00000 1.00000 0.00446
AlT26 0.05045 0.30737 0.00000 1.00000 0.00460
O11 0.24639 -0.10313 0.35861 1.00000 0.00783
O16 0.06192 -0.41565 0.34876 1.00000 0.00779
O13 -0.17331 -0.30913 0.35824 1.00000 0.00780
O26 0.04336 -0.24898 0.00000 1.00000 0.01162
O21 0.12195 0.18469 0.00000 1.00000 0.01120
O23 0.16388 -0.07901 0.00000 1.00000 0.01115
NaCh2 0.00000 0.00000 0.00000 0.02100 0.01100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002616
