data_global
_chemical_name_mineral 'Spodumene'
loop_
_publ_author_name
'Redhammer G J'
'Roth G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 219 
_journal_year 2004
_journal_page_first 278
_journal_page_last 294
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiAl
;
_database_code_amcsd 0011109
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li Al Si2 O6'
_cell_length_a 9.474
_cell_length_b 8.390
_cell_length_c 5.219
_cell_angle_alpha 90
_cell_angle_beta 110.07
_cell_angle_gamma 90
_cell_volume 389.650
_exptl_crystal_density_diffrn      3.172
_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
_atom_site_U_iso_or_equiv
Li   0.00000   0.27460   0.25000   0.01540
Al   0.00000   0.90674   0.25000   0.00350
Si   0.29413   0.09354   0.25599   0.00320
O1   0.10960   0.08250   0.14040   0.00440
O2   0.36470   0.26690   0.30040   0.00730
O3   0.35650  -0.01330   0.05850   0.00690