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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000697.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_9000697
loop_
_publ_author_name
'Hochella, M. F.'
'Brown, G. E.'
'Ross, F. K.'
'Gibbs, G. V.'
_publ_section_title
;
 High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
 Dolni Bory, T = 375 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              337
_journal_page_last               351
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Al4 Fe1.66 Mg0.34 O18 Si5'
_chemical_name_mineral           Sekaninaite
_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                   17.258
_cell_length_b                   9.847
_cell_length_c                   9.328
_cell_formula_units_Z            4
_cell_volume                     1585.196
_database_code_amcsd             0000710
_diffrn_ambient_temperature      648.15
_exptl_crystal_density_diffrn    2.670
_cod_original_formula_sum        '(Mg.34 Fe1.66) Al4 Si5 O18'
_cod_database_code               9000697
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
Mg 0.16320 0.50000 0.25000 0.17000
Fe 0.16320 0.50000 0.25000 0.83000
Al11 0.25000 0.25000 0.25010 1.00000
Si16 0.00000 0.50000 0.25000 1.00000
Si21 0.18940 0.07950 0.00000 1.00000
Al26 0.04990 0.30770 0.00000 1.00000
Si23 -0.13500 0.23440 0.00000 1.00000
O11 0.24380 0.10490 0.14120 1.00000
O16 0.06090 0.41510 0.15090 1.00000
O13 -0.17290 0.30490 0.14270 1.00000
O21 0.12000 0.18330 0.00000 1.00000
O26 -0.04340 0.24620 0.00000 1.00000
O23 -0.16070 0.07660 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000710
