#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010467.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010467
_chemical_name_systematic          'Lithium sulfate'
_chemical_formula_structural       'Li2 S O4'
_chemical_formula_sum              'Li2 O4 S'
_publ_section_title                'The Crystal Structure of Lithium Sulphate'
loop_
_publ_author_name                  'Albright, J G'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    84
_journal_year                      1932
_journal_page_first                150
_journal_page_last                 158
_cell_length_a                     8.25
_cell_length_b                     4.95
_cell_length_c                     8.44
_cell_angle_alpha                  90
_cell_angle_beta                   107.9
_cell_angle_gamma                  90
_cell_volume                       328.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  S6+    6.000
  Li1+   1.000
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
  O1    O2-    4 e 0.492 -0.042 0.25 1.  0 d
  O2    O2-    4 e 0.186 -0.042 0.099 1.  0 d
  O3    O2-    4 e 0.281 -0.042 0.401 1.  0 d
  O4    O2-    4 e 0.319 0.367 0.25 1.  0 d
  S1    S6+    4 e 0.319 0.061 0.25 1.  0 d
  Li1   Li1+   4 e 0.206 0.582 0.375 1.  0 d
  Li2   Li1+   4 e 0.456 0.582 0.125 1.  0 d
_cod_database_code 1010467