#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539988.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_1539988
loop_
_publ_author_name
'Zandbergen, H.W.'
_publ_section_title
;
 Neutron Powder Diffraction and Magnetic Measurements on Rb Ti I3, Rb V
 I3, and Cs V I3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              308
_journal_page_last               317
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'I3 Rb V'
_chemical_name_systematic        'Rb V I3'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.863
_cell_length_b                   13.863
_cell_length_c                   6.807
_cell_volume                     1132.924
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Zandbergen_JSSCBI_1981_1343.cif
_cod_data_source_block           I3Rb1V1
_cod_original_formula_sum        'I3 Rb1 V1'
_cod_database_code               1539988
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,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
V1 V+2 0 0 0 1 0.0
Rb1 Rb+1 0.33 0.33 0.294 1 0.0
I2 I-1 0.503 0.171 0.346 1 0.0
I1 I-1 0.166 0 0.25 1 0.0
V2 V+2 0.3333 0.6667 0.096 1 0.0
