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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/23/9002383.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_9002383
loop_
_publ_author_name
'Xu, H.'
'Heaney, P. J.'
'Beall, G. H.'
_publ_section_title
;
 Phase transitions induced by solid solution in stuffed derivatives of quartz:
 A powder synchrotron XRD study of the LiAlSiO4-SiO2 join
 Sample: x=.9, Li.1Al.1Si1.9O4, alpha quartz structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              971
_journal_page_last               979
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al0.05 Li0.05 O2 Si0.95'
_chemical_name_mineral           Li.1Al.1Si1.9O4
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9567
_cell_length_b                   4.9567
_cell_length_c                   5.4164
_cell_volume                     115.246
_exptl_crystal_density_diffrn    2.610
_[local]_cod_chemical_formula_sum_orig 'Li.05 (Si.95 Al.05) O2'
_cod_database_code               9002383
_amcsd_database_code             AMCSD#0002466
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
-y,x-y,2/3+z
-x,-x+y,2/3-z
-x+y,-x,1/3+z
x-y,-y,1/3-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
Li 0.00000 0.00000 0.00000 0.05000 ?
Si 0.52480 0.00000 0.66667 0.95000 0.01310
Al 0.52480 0.00000 0.66667 0.05000 0.01310
O 0.58870 0.74350 0.79400 1.00000 0.02000