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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540956.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_1540956
loop_
_publ_author_name
'Sheldrick, W.S.'
'Haeusler, H.J.'
_publ_section_title
;
 Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und
 Kristallstrukturen von M As Se2, M = K, Rb, Cs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              139
_journal_page_last               148
_journal_volume                  561
_journal_year                    1988
_chemical_formula_sum            'As Rb Se2'
_chemical_name_systematic        'Rb (As Se2)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.33
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   23.311
_cell_length_b                   9.915
_cell_length_c                   9.337
_cell_volume                     2108.270
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sheldrick_ZAACAB_1988_111.cif
_cod_data_source_block           As1Rb1Se2
_cod_original_cell_volume        2108.27
_cod_original_formula_sum        'As1 Rb1 Se2'
_cod_database_code               1540956
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 0.6974 0.422 0.3272 1 0.0
Se3 Se-2 0.602 0.4118 0.5572 1 0.0
Se4 Se-2 0.6958 0.2165 0.8447 1 0.0
Se1 Se-2 0.5593 -0.2195 0.494 1 0.0
As2 As+3 0.6082 0.1959 0.65 1 0.0
As1 As+3 0.6541 -0.1406 0.547 1 0.0
Se2 Se-2 0.6504 0.0928 0.4615 1 0.0
Rb2 Rb+1 0.5 0.5056 0.75 1 0.0
Rb3 Rb+1 0.5 -0.0385 0.75 1 0.0
