#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/71/1527165.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_1527165
loop_
_publ_author_name
'Boettcher, P.'
_publ_section_title
;
 Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2
 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  461
_journal_year                    1980
_chemical_formula_sum            'Rb2 Se3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.856
_cell_length_b                   10.858
_cell_length_c                   7.977
_cell_volume                     680.442
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1980_903.cif
_cod_data_source_block           Rb2Se3
_cod_original_cell_volume        680.4417
_cod_database_code               1527165
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,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
Rb1 Rb+1 0 0.0982 0.9519 1 0.0
Se1 Se 0 0.7883 0 1 0.0
Se2 Se-1 0.2375 0.8361 0.8273 1 0.0
Rb2 Rb+1 0 0.5777 0.6705 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046004
