#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002526.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_9002526
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: 1960728 Orijarvi, Finland, 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            'Al3.974 Fe0.453 Mg1.582 Na0.038 O18 Si4.991'
_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                   17.119
_cell_length_b                   9.735
_cell_length_c                   9.334
_cell_formula_units_Z            4
_cell_volume                     1555.543
_database_code_amcsd             0002615
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    2.562
_cod_original_formula_sum        'Mg1.582 Fe.453 Al3.974 Si4.991 O18 Na.038'
_cod_database_code               9002526
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 0.33754 0.00000 0.25000 0.79100 0.00663
FeM 0.33754 0.00000 0.25000 0.20900 0.00663
AlT11 0.25000 0.25000 0.25007 0.98700 0.00593
FeT11 0.25000 0.25000 0.25007 0.01300 0.00593
SiT16 0.00000 0.50000 0.25000 0.99100 0.00523
FeT16 0.00000 0.50000 0.25000 0.00900 0.00523
SiT21 0.19202 0.07809 0.00000 1.00000 0.00431
SiT23 0.13506 -0.23699 0.00000 1.00000 0.00444
AlT26 0.05054 0.30758 0.00000 1.00000 0.00462
O11 0.24663 -0.10297 0.35844 1.00000 0.00778
O16 0.06210 -0.41591 0.34889 1.00000 0.00770
O13 -0.17335 -0.30947 0.35823 1.00000 0.00771
O26 0.04345 -0.24929 0.00000 1.00000 0.01136
O21 0.12212 0.18498 0.00000 1.00000 0.01142
O23 0.16405 -0.07917 0.00000 1.00000 0.01092
NaCh2 0.00000 0.00000 0.00000 0.03800 0.18200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002615
