#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011469.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_9011469
loop_
_publ_author_name
'Hesse, K. F.'
_publ_section_title
;
 Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  172
_journal_year                    1985
_chemical_compound_source        Synthetic
_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                   13.473
_cell_length_b                   13.473
_cell_length_c                   9.001
_cell_formula_units_Z            18
_cell_volume                     1414.979
_database_code_amcsd             0010936
_exptl_crystal_density_diffrn    2.662
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Li (Al Si) O4'
_cod_database_code               9011469
loop_
_space_group_symop_operation_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 0.01980 0.81220 0.75110 1.00000
Al1 0.53030 0.88070 0.74960 0.50000
Si1 0.53030 0.88070 0.74960 0.50000
Al2 0.87520 0.34430 0.91610 0.50000
Si2 0.87520 0.34430 0.91610 0.50000
O1 0.75930 0.21320 0.89380 1.00000
O2 0.73220 0.19890 0.58440 1.00000
O3 0.10060 0.88440 0.94170 1.00000
O4 0.65900 0.00260 0.74950 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010936
