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 0000355
_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
_cell_angle_beta 110.15
_cell_angle_gamma 90
_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   0.29410   0.09350   0.25600
Al1   0.00000   0.90660   0.25000
Li2   0.00000   0.27520   0.25000
O1   0.10990   0.08230   0.14020
O2   0.36460   0.26730   0.30090
O3   0.35650   0.98710   0.05780
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 0.00210 0.00180 -0.00068 0.00066 -0.00019
Al1 0.00215 0.00260 0.00170 0.00000 0.00049 0.00000
Li2 0.01214 0.01440 0.01651 0.00000 0.00446 0.00000
O1 0.00256 0.00389 0.00216 -0.00036 0.00015 0.00002
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

