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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/1/52/82/1528243.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_1528243
loop_
_publ_author_name
'Zandbergen, H.W.'
'Ijdo, D.J.W.'
_publ_section_title
;
 Neutron powder diffraction on Rb Cr I3 and magnetic measurements on Rb Cr
 I3 and Cs Cr I3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              199
_journal_page_last               210
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'Cr I3 Rb'
_chemical_name_systematic        'Rb Cr I3'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.88
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.586
_cell_length_b                   7.923
_cell_length_c                   14.094
_cell_volume                     1506.180
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Zandbergen_JSSCBI_1981_1492.cif
_cod_data_source_block           Cr1I3Rb1
_cod_original_cell_volume        1506.18
_cod_original_formula_sum        'Cr1 I3 Rb1'
_cod_database_code               1528243
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
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
Cr1 Cr+2 0 0 0 1 0.0
Cr3 Cr+2 -0.002 0.035 0.249 1 0.0
Cr2 Cr+2 0 0.063 0.5 1 0.0
I5 I-1 0.085 -0.185 0.391 1 0.0
I2 I-1 0.176 0.061 0.667 1 0.0
Rb2 Rb+1 0.326 0.015 0.876 1 0.0
I4 I-1 0.089 0.252 0.909 1 0.0
I3 I-1 0.085 0.31 0.401 1 0.0
Rb1 Rb+1 0.35 0.036 0.391 1 0.0
I1 I-1 0.166 0.023 0.164 1 0.0
I6 I-1 0.082 -0.254 0.881 1 0.0
