#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002542.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_9002542
loop_
_publ_author_name
'Daniels, P.'
'Fyfe, C. A.'
_publ_section_title
;
 Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
 Not the correct model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              279
_journal_page_last               283
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.532
_cell_length_b                   13.532
_cell_length_c                   9.044
_cell_formula_units_Z            18
_cell_volume                     1434.218
_database_code_amcsd             0002631
_exptl_crystal_density_diffrn    2.626
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Li (Si Al) O4'
_cod_database_code               9002542
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li 0.02040 0.81320 0.75150 1.00000
Si1 0.53030 0.88076 0.74951 0.50000
Al1 0.53030 0.88076 0.74951 0.50000
Si2 0.87526 0.34430 0.91608 0.50000
Al2 0.87526 0.34430 0.91608 0.50000
O1 0.75930 0.21310 0.89440 1.00000
O2 0.73290 0.19930 0.58460 1.00000
O3 0.10050 0.88430 0.94130 1.00000
O4 0.65920 0.00260 0.74950 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002631
