data_global
_chemical_name_mineral 'Spodumene-II'
loop_
_publ_author_name
'Clarke P T'
'Spink J M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 130 
_journal_year 1969
_journal_page_first 420
_journal_page_last 426
_publ_section_title
;
 The crystal structure of beta spodumene, LiAlSi2O6-II
;
_database_code_amcsd 0010702
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li (Al Si2) O6'
_cell_length_a 7.534
_cell_length_b 7.543
_cell_length_c 9.158
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 520.440
_exptl_crystal_density_diffrn      2.375
_symmetry_space_group_name_H-M 'P 43 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,3/4+z'
  '1/2-x,1/2+y,3/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,1/4+z'
  '1/2+x,1/2-y,1/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li   0.08260   0.19820   0.49440   0.50000
Al1   0.33220   0.12230   0.23880   0.33333
Si1   0.33220   0.12230   0.23880   0.66667
Al2   0.41740   0.41740   0.00000   0.33333
Si2   0.41740   0.41740   0.00000   0.66667
O1   0.44260   0.12160   0.39470   1.00000
O2   0.12430   0.11530   0.30010   1.00000
O3   0.36540   0.30480   0.14680   1.00000
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
Li 0.05550 0.08100 0.02270 -0.02380 -0.00590 -0.00630
Al1 0.01270 0.01240 0.00990 -0.00040 0.00030 0.00010
Si1 0.01270 0.01240 0.00990 -0.00040 0.00030 0.00010
Al2 0.01110 0.01110 0.01250 -0.00070 0.00030 -0.00030
Si2 0.01110 0.01110 0.01250 -0.00070 0.00030 -0.00030
O1 0.03220 0.03430 0.02660 -0.00560 -0.01620 0.00140
O2 0.01530 0.03080 0.02190 0.00110 -0.00050 -0.00220
O3 0.04830 0.03290 0.03390 -0.00350 0.00870 0.01450