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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/1/53/02/1530212.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_1530212
loop_
_publ_author_name
'Kruglik, A.I.'
'Simonov, M.A.'
'Zhelezin, E.P.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structures of phases I and III of cesium lithium sulfate
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1384
_journal_page_last               1387
_journal_volume                  247
_journal_year                    1979
_chemical_formula_sum            'Cs Li O4 S'
_chemical_name_systematic        'Cs Li (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.456
_cell_length_b                   5.456
_cell_length_c                   8.82
_cell_volume                     455.041
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kruglik_DANKAS_1979_474.cif
_cod_data_source_block           Cs1Li1O4S1
_cod_original_cell_volume        455.0409
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_original_formula_sum        'Cs1 Li1 O4 S1'
_cod_database_code               1530212
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x-1/2,y-1/2,-z-1/2
x,-y-1/2,z
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
Cs1 Cs+1 0.28432 0.75 0.99848 1 0.0
O3 O-2 0.226 0.25 0.2632 1 0.0
O1 O-2 0.094 0.25 0.0412 1 0.0
O2 O-2 0.0101 0.0325 0.2609 1 0.0
S1 S+6 0.0831 0.25 0.204 1 0.0
Li1 Li+1 0.416 0.25 0.331 1 0.0
