#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/30/1533005.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_1533005
loop_
_publ_author_name
'Nalini, G.'
'Guru Row, T.N.'
_publ_section_title
;
 Phase transitions in rubidium hydrogen sulfate: crystal structures at 293
 K and 200 K
;
_journal_name_full               'Phase Transition'
_journal_page_first              923
_journal_page_last               934
_journal_volume                  76
_journal_year                    2003
_chemical_formula_sum            'H O4 Rb S'
_chemical_name_systematic        'Rb (H S O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.03
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.3503
_cell_length_b                   4.6187
_cell_length_c                   14.3933
_cell_volume                     842.083
_citation_journal_id_ASTM        PHTRDP
_cod_data_source_file            Nalini_PHTRDP_2003_1965.cif
_cod_data_source_block           H1O4Rb1S1
_cod_original_cell_volume        842.0833
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 O4 Rb1 S1'
_cod_database_code               1533005
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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 0.7389 0.6823 0.3632 1 0.0
O6 O-2 0.4831 0.9929 0.3789 1 0.0
O8 O-2 0.5434 0.5141 0.4022 1 0.0
O1 O-2 0.742 0.4987 0.3321 1 0.0
O2 O-2 0.7188 0.023 0.3829 1 0.0
S1 S+6 0.793 0.2616 0.4208 1 0.0
S2 S+6 0.451 0.7155 0.3266 1 0.0
H2 H+1 0.5198 0.3136 0.3922 1 0.0
O5 O-2 0.3543 0.6158 0.3228 1 0.0
Rb2 Rb+1 0.5388 0.2018 0.1636 1 0.0
O3 O-2 0.8013 0.3842 0.5169 1 0.0
Rb1 Rb+1 0.7077 0.8612 0.5845 1 0.0
O4 O-2 0.8947 0.1928 0.427 1 0.0
O7 O-2 0.4472 0.7004 0.225 1 0.0
