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 = 24 C
 pyroxene
;
_database_code_amcsd 355
_chemical_formula_sum 'Si2 Al Li O6'
_cell_length_a 9.463
_cell_length_b 8.392
_cell_length_c 5.218
_cell_angle_alpha 90.0
_cell_angle_beta 110.15
_cell_angle_gamma 90.0
_cell_volume 389.017
_exptl_crystal_density_diffrn  3.177
_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   0.2941  0.0935  0.256
Al1   0.0  0.9066  0.25
Li2   0.0  0.2752  0.25
O1   0.1099  0.0823  0.1402
O2   0.3646  0.2673  0.3009
O3   0.3565  0.9871  0.0578
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   0.00167  0.0021  0.0018  -0.00068  0.00066  -0.00019
Al1   0.00215  0.0026  0.0017  0.0  0.00049  0.0
Li2   0.01214  0.0144  0.01651  0.0  0.00446  0.0
O1   0.00256  0.00389  0.00216  -0.00036  0.00015  2e-05
O2   0.00554  0.00426  0.00771  -0.00249  0.00339  -0.00061
O3   0.00387  0.00858  0.00278  0.00092  0.00056  -0.00247