#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/57/1535711.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_1535711
loop_
_publ_author_name
'Burnus, R.'
'Meyer, G.'
_publ_section_title
;
 Synthese und Kristallstrukturen der Alkali-Tetraiodoindate(III), AInI4 (A
 = Li, K, Rb, Cs)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              31
_journal_page_last               37
_journal_volume                  602
_journal_year                    1991
_chemical_formula_sum            'I4 In Rb'
_chemical_name_systematic        'Rb In I4'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   24.526
_cell_length_b                   24.526
_cell_length_c                   9.786
_cell_volume                     5097.876
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Burnus_ZAACAB_1991_72.cif
_cod_data_source_block           I4In1Rb1
_cod_original_formula_sum        'I4 In1 Rb1'
_cod_database_code               1535711
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
I3 I-1 0.11093 0.82632 0.2763 1 0.0
In1 In+3 0.01014 0.80839 0.1259 1 0.0
I4 I-1 0.9116 0.77092 0.2994 1 0.0
I1 I-1 0.03102 0.91499 0 1 0.0
I2 I-1 0.98873 0.71882 0.9379 1 0.0
Rb1 Rb+1 0.0078 0.2065 0.1137 1 0.0
