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 = 460 C
 pyroxene
;
_database_code_amcsd 0000357
_chemical_formula_sum 'Si2 Al Li O6'
_cell_length_a 9.473
_cell_length_b 8.43
_cell_length_c 5.229
_cell_angle_alpha 90
_cell_angle_beta 109.99
_cell_angle_gamma 90
_cell_volume 392.416
_exptl_crystal_density_diffrn      3.150
_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   0.29430   0.09310   0.25370
Al1   0.00000   0.90540   0.25000
Li2   0.00000   0.27500   0.25000
O1   0.11040   0.08150   0.13940
O2   0.36500   0.26560   0.30140
O3   0.35650   0.98960   0.05260
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 0.00755 0.00956 0.00710 -0.00116 0.00287 -0.00045
Al1 0.00900 0.00941 0.00839 0.00000 0.00310 0.00000
Li2 0.03490 0.03686 0.03412 0.00000 0.00955 0.00000
O1 0.00748 0.01335 0.01015 -0.00088 0.00261 0.00050
O2 0.01794 0.01325 0.02100 -0.00701 0.00911 -0.00264
O3 0.01307 0.02575 0.01201 0.00135 0.00426 -0.00729