#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527684.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_1527684
loop_
_publ_author_name
'Krebs, B.'
'Kindler, E.'
_publ_section_title
;
 Struktur und Bindungsverhaeltnisse des Re O3 S(-)-ions: Die
 Kristallstruktur von Rubidium-monothioperrhenat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              293
_journal_page_last               307
_journal_volume                  368
_journal_year                    1969
_chemical_formula_sum            'O3 Rb Re S'
_chemical_name_systematic        'Rb Re O3 S'
_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                 116.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.088
_cell_length_b                   7.868
_cell_length_c                   8.153
_cell_volume                     519.896
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1969_1231.cif
_cod_data_source_block           O3Rb1Re1S1
_cod_original_cell_volume        519.8959
_cod_original_formula_sum        'O3 Rb1 Re1 S1'
_cod_database_code               1527684
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
O3 O-2 0.0664 0.2741 0.1453 1 0.0
Rb1 Rb+1 0.1981 0.6338 0.22 1 0.0
O2 O-2 0.2029 0.0007 0.3903 1 0.0
S1 S-2 0.4541 0.2617 0.3465 1 0.0
O1 O-2 0.2134 -0.0078 0.0582 1 0.0
Re1 Re+7 0.2253 0.1298 0.229 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046078
