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 = 300 C
 pyroxene
;
_database_code_amcsd 0000356
_chemical_formula_sum 'Si2 Al Li O6'
_cell_length_a 9.468
_cell_length_b 8.412
_cell_length_c 5.224
_cell_angle_alpha 90
_cell_angle_beta 110.05
_cell_angle_gamma 90
_cell_volume 390.848
_exptl_crystal_density_diffrn      3.162
_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   0.09320   0.25470
Al1   0.00000   0.90590   0.25000
Li2   0.00000   0.27580   0.25000
O1   0.11010   0.08190   0.13970
O2   0.36490   0.26620   0.30120
O3   0.35650   0.98860   0.05460
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 0.00628 0.00813 0.00549 -0.00103 0.00195 -0.00025
Al1 0.00714 0.00774 0.00657 0.00000 0.00224 0.00000
Li2 0.02905 0.02756 0.02557 0.00000 0.00769 0.00000
O1 0.00649 0.01094 0.00739 -0.00049 0.00166 0.00061
O2 0.01440 0.01023 0.01655 -0.00501 0.00684 -0.00220
O3 0.00981 0.02025 0.00964 0.00043 0.00284 -0.00562