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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/1/52/13/1521319.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_1521319
loop_
_publ_author_name
'Mestres, L.'
'Simkin, V.G.'
'Baccali, A.'
'Martinez-Sarrion, M.L.'
'Smirnov, L.S.'
'Balagurov, A.M.'
_publ_section_title
;
 X-ray and neutron powder diffraction studies of phase transitions in Li
 Cs S O4
;
_journal_name_full               Kristallografiya
_journal_page_first              83
_journal_page_last               88
_journal_volume                  44
_journal_year                    1999
_chemical_formula_sum            'Cs Li O4 S'
_chemical_name_systematic        'Li Cs (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                   9.4444
_cell_length_b                   5.4493
_cell_length_c                   8.8085
_cell_volume                     453.333
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Mestres_KRISAJ_1999_457.cif
_cod_data_source_block           Cs1Li1O4S1
_cod_original_cell_volume        453.3327
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_original_formula_sum        'Cs1 Li1 O4 S1'
_cod_database_code               1521319
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
O1 O-2 0.086 0.25 0.041 1 0.0
Cs1 Cs+1 0.287 0.75 0 1 0.0
Li1 Li+1 0.419 0.25 0.314 1 0.0
O3 O-2 0.216 0.25 0.265 1 0.0
S1 S+6 0.083 0.25 0.201 1 0.0
O2 O-2 0.019 0.018 0.26 1 0.0
