data_global
_chemical_name_mineral 'Spodumene'
loop_
_publ_author_name
'Arlt T'
'Angel R J'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 27 
_journal_year 2000
_journal_page_first 719
_journal_page_last 731
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 3.164 GPa
;
_database_code_amcsd 0008493
_chemical_formula_sum 'Li Al Si2 O6'
_cell_length_a 9.3895
_cell_length_b 8.3240
_cell_length_c 5.1865
_cell_angle_alpha 90
_cell_angle_beta 110.023
_cell_angle_gamma 90
_cell_volume 380.865
_exptl_crystal_density_diffrn      3.245
_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
LiM2   0.00000   0.27770   0.25000   0.02660
AlM1   0.00000   0.90820   0.25000   0.00405
Si   0.29460   0.09429   0.25660   0.00469
O1   0.10880   0.08430   0.14150   0.00557
O2   0.36410   0.26890   0.30180   0.00773
O3   0.35740   0.98700   0.05760   0.00709