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#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002382.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_9002382
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=.69, Li.31Al.31Si1.69O4, 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            'Li.155 (Si.845 Al.155) O2'
_chemical_name_mineral           Li.31Al.31Si1.69O4
_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                   5.0865
_cell_length_b                   5.0865
_cell_length_c                   5.4451
_cell_volume                     122.004
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 0.15500 0.06300
Si 0.50980 0.00000 0.66667 0.84500 0.01320
Al 0.50980 0.00000 0.66667 0.15500 0.01320
O 0.58830 0.76410 0.81100 1.00000 0.02180