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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/23/9002382.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_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_structural     Li.31Al.31Si1.69O4
_chemical_formula_sum            'Al0.155 Li0.155 O2 Si0.845'
_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                   5.0865
_cell_length_b                   5.0865
_cell_length_c                   5.4451
_cell_formula_units_Z            3
_cell_volume                     122.004
_database_code_amcsd             0002466
_exptl_crystal_density_diffrn    2.490
_cod_original_formula_sum        'Li.155 (Si.845 Al.155) O2'
_cod_database_code               9002382
_amcsd_formula_title             Li.31Al.31Si1.69O4
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002466
