data_1011191
_chemical_name_systematic          'Lithium aluminium catena-disilicate *'
_chemical_name_mineral             'Spodumene'
_chemical_formula_structural       'Li Al (Si2 O6)'
_chemical_formula_sum              'Al Li O6 Si2'
_publ_section_title
;
The crystal structure of monoclinic pyroxenes
;
loop_
_publ_author_name
  'Warren, B E'
  'Biscoe, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    80
_journal_year                      1931
_journal_page_first                391
_journal_page_last                 401
_cell_length_a                     9.5
_cell_length_b                     8.3
_cell_length_c                     5.24
_cell_angle_alpha                  90
_cell_angle_beta                   69.67
_cell_angle_gamma                  90
_cell_volume                       387.4
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.12
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   1.000
  Al3+   3.000
  Si4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Li1   Li1+   4 e 0. -0.31 0.25 1.  0 d
  Al1   Al3+   4 e 0. 0.09 0.25 1.  0 d
  Si1   Si4+   8 f 0.21 0.41 0.25 1.  0 d
  O1    O2-    8 f 0.39 0.41 0.14 1.  0 d
  O2    O2-    8 f 0.13 0.25 0.32 1.  0 d
  O3    O2-    8 f 0.14 0.49 0. 1.  0 d