#------------------------------------------------------------------------------
#$Date: 2015-10-10 04:57:36 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164556 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536726.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_1536726
loop_
_publ_author_name
'Emmerling, F.'
'Roehr, C.'
_publ_section_title
;
 Die Undecaarsenide A3 As11 (A = Rb, Cs) - Synthesen und
 Kristallstrukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              467
_journal_page_last               472
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'As11 Rb3'
_chemical_name_systematic        'Rb3 As11'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.082
_cell_length_b                   15.335
_cell_length_c                   10.601
_cell_volume                     1801.560
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Emmerling_ZAACAB_2003_885.cif
_cod_data_source_block           As11Rb3
_cod_original_cell_volume        1801.56
_cod_database_code               1536726
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
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
As1 As 0.1857 0.24199 0.22163 1 0.0
As6 As 0 0.03287 0.25 1 0.0
As5 As 0.46091 0.15013 0.01259 1 0.0
As2 As 0.11667 0.21444 0.43811 1 0.0
Rb1 Rb+1 0 0.80788 0.25 1 0.0
Rb2 Rb+1 0.28092 0.01943 0.4006 1 0.0
As3 As 0.07959 0.37831 0.17061 1 0.0
As4 As 0.07136 0.13526 0.0971 1 0.0
