#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002541.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_9002541
loop_
_publ_author_name
'Daniels, P.'
'Fyfe, C. A.'
_publ_section_title
;
 Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
;
_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           146
_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             0002630
_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               9002541
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1 -0.01720 -0.81110 -0.74860
Li2 0.02080 0.81170 0.75350
Si1 0.53003 0.87978 0.74976
Al1 -0.53033 -0.88160 -0.74912
Si2 0.87557 0.34416 0.91628
Al2 -0.87508 -0.34475 -0.91580
O1 -0.75287 -0.20991 -0.89041
O2 0.76554 0.21616 0.89841
O3 -0.73280 -0.19912 -0.59329
O4 0.73246 0.19928 0.57644
O5 -0.10448 -0.88798 -0.93692
O6 0.09633 0.88060 0.94630
O7 -0.66426 -0.00862 -0.74899
O8 0.65458 -0.00374 0.74982
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002630
