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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/1/53/18/1531849.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_1531849
loop_
_publ_author_name
'Merinov, B.V.'
'Haile, S.M.'
'Bismayer, U.'
_publ_section_title
;
 Crystal structure of the "intermediate" phase of the protonic conductor
 Rb3 H (Se O4)2
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              355
_journal_page_last               365
_journal_volume                  146
_journal_year                    2002
_chemical_formula_sum            'H O8 Rb3 Se2'
_chemical_name_systematic        'Rb3 H (Se O4)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.691
_cell_length_b                   6.167
_cell_length_c                   8.429
_cell_volume                     503.668
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Merinov_SSIOD3_2002_840.cif
_cod_data_source_block           H1O8Rb3Se2
_cod_original_cell_volume        503.6676
_cod_original_formula_sum        'H1 O8 Rb3 Se2'
_cod_database_code               1531849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Se1 Se+6 0.4046 0 0.23169 1 0.0
O3 O-2 0.2878 0.0227 0.3102 0.5 0.0
O2 O-2 0.3155 0.0735 0.0145 0.5 0.0
Rb1 Rb+1 0 0 0 1 0.0
H1 H+1 0.313 0.198 -0.007 0.25 0.0
O1 O-2 0.4976 0.2183 0.2843 1 0.0
Rb2 Rb+1 0.207 0 0.60931 1 0.0
