#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531639.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_1531639
loop_
_publ_author_name
'Jensen, E.A.'
'Corbett, J.D.'
_publ_section_title
;
 Alteration of rare-earth-metal cluster iodides R (R6 I12 Z) through
 cation substitution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              132
_journal_page_last               137
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Fe I12 La6.046 Na0.954'
_chemical_name_systematic        '(Na0.954 La0.046) (La6 I12 Fe)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   16.142
_cell_length_b                   16.142
_cell_length_c                   11.122
_cell_volume                     2509.737
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jensen_JSSCBI_2003_1515.cif
_cod_data_source_block           Fe1I12La6.046Na0.954
_cod_original_formula_sum        'Fe1 I12 La6.046 Na0.954'
_cod_database_code               1531639
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
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
-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
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
-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
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
La1 La 0.78271 0.28892 0.1857 1 0.0
La2 La 0 0 0.5 0.046 0.0
I2 I 0.9211 0.2342 0.0023 1 0.0
Fe1 Fe 0 0 0 1 0.0
Na1 Na 0 0 0.5 0.954 0.0
I1 I 0.84832 0.4643 -0.0009 1 0.0
