data_global
_chemical_name_mineral 'Eucryptite'
loop_
_publ_author_name
'Daniels P'
'Fyfe C A'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 279
_journal_page_last 283
_publ_section_title
;
 Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
;
_database_code_amcsd 0002630
_chemical_formula_sum 'Li Si Al O4'
_cell_length_a 13.532
_cell_length_b 13.532
_cell_length_c 9.044
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1434.218
_exptl_crystal_density_diffrn      2.626
_symmetry_space_group_name_H-M 'R 3'
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'
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_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li1 0.01760 0.01970 0.01320 0.00880 0.00120 0.00270
Li2 0.01630 0.01480 0.01500 0.00690 -0.00110 -0.00130
Si1 0.00980 0.01000 0.00920 0.00512 -0.00023 -0.00025
Al1 0.01050 0.01030 0.00910 0.00537 -0.00011 -0.00008
Si2 0.01036 0.00950 0.00910 0.00498 -0.00031 0.00011
Al2 0.01060 0.00980 0.00940 0.00519 -0.00023 -0.00011
O1 0.01180 0.01170 0.01070 0.00350 -0.00140 -0.00110
O2 0.01200 0.01100 0.01110 0.00330 -0.00160 -0.00090
O3 0.01290 0.01200 0.00930 0.00470 -0.00010 0.00000
O4 0.01260 0.01170 0.00870 0.00440 0.00030 -0.00020
O5 0.01180 0.01130 0.01090 0.00350 0.00100 0.00130
O6 0.01260 0.01120 0.01080 0.00360 0.00160 0.00080
O7 0.01080 0.01000 0.01390 0.00480 -0.00010 0.00000
O8 0.01060 0.00990 0.01370 0.00440 0.00050 0.00030