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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014577.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_9014577
loop_
_publ_author_name
'Taylor, W.'
_publ_section_title
;
 An X-ray examination of substituted Edingtonites.
 _cod_database_code 1011059
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              208
_journal_page_last               240
_journal_paper_doi               10.1180/minmag.1935.024.151.03
_journal_volume                  24
_journal_year                    1935
_chemical_formula_sum            'Al2 O10 Si3 Tl2'
_chemical_name_mineral           Edingtonite-(Tl)
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.
_cell_length_b                   10.
_cell_length_c                   6.65
_cell_volume                     665.000
_database_code_amcsd             0017959
_exptl_crystal_density_diffrn    3.531
_cod_original_formula_sum        'Tl2 (Si3 Al2) O10'
_cod_database_code               9014577
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,-x,-z
1/2-x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,x,-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
Tl1 0.50000 0.00000 0.48600 0.66670
Tl2 0.25000 0.25000 0.89400 0.66670
Si1 0.00000 0.00000 0.00000 0.50000
Al1 0.00000 0.00000 0.00000 0.50000
Si2 0.16670 0.12500 0.37500 0.62500
Al2 0.16670 0.12500 0.37500 0.37500
O1 0.30000 0.20000 0.37500 1.00000
O2 0.02800 0.19400 0.47200 1.00000
O3 0.11100 0.06100 0.13900 1.00000