#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/78/1537804.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_1537804
loop_
_publ_author_name
'Bittner, J.'
'Fuchs, J.'
'Seppelt, K.'
_publ_section_title
;
 Die Kristallstruktur des (S F5)(-) - Anions
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              182
_journal_page_last               190
_journal_volume                  557
_journal_year                    1988
_chemical_formula_sum            'F5 Rb S'
_chemical_name_systematic        'Rb (S F5)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7608
_cell_length_b                   9.9028
_cell_length_c                   6.141
_cell_volume                     471.958
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bittner_ZAACAB_1988_1976.cif
_cod_data_source_block           F5Rb1S1
_cod_original_cell_volume        471.9582
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'F5 Rb1 S1'
_cod_database_code               1537804
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
F1 F-1 0.4814 0.1495 0.4441 1 0.0
F3 F-1 0.2674 0.2427 0.25 1 0.0
F2 F-1 0.189 0.0717 0.4537 1 0.0
S1 S+4 0.3396 0.0958 0.25 1 0.0
Rb1 Rb+1 0.8418 0.154 0.25 1 0.0
