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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106816.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106816
loop_
_publ_author_name
'Alcock, N.W.'
'Evans, D.A.'
'Jenkins, H.D.B.'
_publ_section_title
;
 Lithium sulfate - a redetermination
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              360
_journal_page_last               361
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Li2 O4 S'
_chemical_name_systematic        'Li2 (S O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.45
_cell_length_b                   4.95
_cell_length_c                   8.21
_cell_volume                     327.510
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Alcock_ACBCAR_1973_638.cif
_cod_data_source_block           Li2O4S1
_cod_original_cell_volume        327.51
_cod_original_formula_sum        'Li2 O4 S1'
_cod_database_code               2106816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.1049 0.0065 0.1634 1 0.0
S1 S+6 0.2517 0.0642 0.3111 1 0.0
Li1 Li+1 0.3815 0.5689 0.1993 1 0.0
Li2 Li+1 0.1287 0.5776 0.4357 1 0.0
O4 O-2 0.2743 0.3573 0.338 1 0.0
O1 O-2 0.2291 -0.0656 0.4634 1 0.0
O3 O-2 0.3979 -0.0509 0.275 1 0.0
