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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525774.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_1525774
loop_
_publ_author_name
'Chisholm, C.R.I.'
'Haile, S.M.'
_publ_section_title
;
 X-ray structure refinement of Cs H S O4 in phase II
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              999
_journal_page_last               1005
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Cs H O4 S'
_chemical_name_systematic        'Cs (H 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                 110.78
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.781
_cell_length_b                   8.147
_cell_length_c                   7.722
_cell_volume                     457.669
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Chisholm_MRBUAC_2000_335.cif
_cod_data_source_block           H1Cs1O4S1
_cod_original_cell_volume        457.6686
_cod_original_formula_sum        'H1 Cs1 O4 S1'
_cod_database_code               1525774
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
H1 H+1 0.625 0.295 0.057 1 0.0
O3 O-2 0.8947 0.2536 0.8594 1 0.0
O4 O-2 0.8062 0.996 0.1867 1 0.0
S1 S+6 0.75214 0.12727 0.27996 1 0.0
O2 O-2 0.6647 0.07 0.4079 1 0.0
Cs1 Cs+1 0.21551 0.12907 0.20605 1 0.0
O1 O-2 0.589 0.2207 0.1312 1 0.0
