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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002380.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_9002380
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=.33, Li.67Al.67Si1.33O4, beta quartz structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              971
_journal_page_last               979
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al0.33 Li0.33 O2 Si0.67'
_chemical_name_mineral           Li.67Al.67Si1.33O4
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.2102
_cell_length_b                   5.2102
_cell_length_c                   5.4551
_cell_volume                     128.246
_exptl_crystal_density_diffrn    2.409
_[local]_cod_chemical_formula_sum_orig 'Li.33 (Si.67 Al.33) O2'
_cod_original_cell_volume        128.245
_cod_database_code               9002380
_amcsd_database_code             AMCSD#0002463
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,x-y,1/3-z
x-y,x,1/3+z
y,x,2/3-z
-y,x-y,2/3+z
-x+y,y,-z
-x,-y,z
-x,-x+y,1/3-z
-x+y,-x,1/3+z
-y,-x,2/3-z
y,-x+y,2/3+z
x-y,-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
Li 0.00000 0.00000 0.00000 0.33000 0.01300
Si 0.50000 0.00000 0.00000 0.67000 0.01170
Al 0.50000 0.00000 0.00000 0.33000 0.01170
O 0.20530 0.41060 0.50000 1.00000 0.02230