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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002381.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002381
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=.50, Li.5Al.5Si1.5O4, 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            'Al0.25 Li0.25 O2 Si0.75'
_[local]_cod_chemical_formula_sum_orig 'Li.25 (Si.75 Al.25) O2'
_chemical_name_mineral           Li.5Al.5Si1.5O4
_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                   5.1609
_cell_length_b                   5.1609
_cell_length_c                   5.4574
_cell_volume                     125.883
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 0.25000 0.04400
Si 0.50000 0.00000 0.00000 0.75000 0.01690
Al 0.50000 0.00000 0.00000 0.25000 0.01690
O 0.20520 0.41040 0.50000 1.00000 0.03120
_cod_database_code 9002381