data_global
_chemical_name_mineral 'Spodumene'
loop_
_publ_author_name
'Cameron M'
'Sueno S'
'Prewitt C T'
'Papike J J'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 594
_journal_page_last 618
_publ_section_title
;
 High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
 spodumene, and ureyite
 T = 760 C
 pyroxene
;
_database_code_amcsd 358
_chemical_formula_sum 'Si2 Al Li O6'
_cell_length_a 9.489
_cell_length_b 8.46
_cell_length_c 5.236
_cell_angle_alpha 90.0
_cell_angle_beta 109.88
_cell_angle_gamma 90.0
_cell_volume 395.281
_exptl_crystal_density_diffrn  3.127
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.2943  0.0928  0.2522
Al1   0.0  0.9044  0.25
Li2   0.0  0.2769  0.25
O1   0.1105  0.081  0.1383
O2   0.3652  0.2644  0.3018
O3   0.3562  0.9911  0.0495
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
Si   0.01109  0.01391  0.01052  -0.00185  0.00331  -0.00098
Al1   0.01358  0.01416  0.01276  0.0  0.00415  0.0
Li2   0.05565  0.04928  0.04504  0.0  0.00837  0.0
O1   0.01028  0.02025  0.0145  -0.001  0.00254  0.00147
O2   0.02541  0.0178  0.02952  -0.00885  0.01133  -0.00344
O3   0.01666  0.03591  0.01666  0.00147  0.00472  -0.00996