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 0000358
_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
_cell_angle_beta 109.88
_cell_angle_gamma 90
_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   0.29430   0.09280   0.25220
Al1   0.00000   0.90440   0.25000
Li2   0.00000   0.27690   0.25000
O1   0.11050   0.08100   0.13830
O2   0.36520   0.26440   0.30180
O3   0.35620   0.99110   0.04950
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 0.00000 0.00415 0.00000
Li2 0.05565 0.04928 0.04504 0.00000 0.00837 0.00000
O1 0.01028 0.02025 0.01450 -0.00100 0.00254 0.00147
O2 0.02541 0.01780 0.02952 -0.00885 0.01133 -0.00344
O3 0.01666 0.03591 0.01666 0.00147 0.00472 -0.00996