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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/1/52/95/1529547.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_1529547
loop_
_publ_author_name
'Aliev, Z.G.'
'Dubrovin, I.V.'
'Klinkova, L.A.'
'Atovmyan, L.O.'
_publ_section_title
;
 Preparation and structure of Molybdenum Di-iodide
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1964
_journal_page_last               1967
_journal_volume                  26
_journal_year                    1981
_chemical_formula_sum            'I2 Mo'
_chemical_name_systematic        'Mo I2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-A 2 2ab'
_symmetry_space_group_name_H-M   'A c a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   12.562
_cell_length_b                   12.562
_cell_length_c                   15.803
_cell_volume                     2493.774
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Aliev_ZNOKAQ_1981_880.cif
_cod_data_source_block           I2Mo1
_cod_original_sg_symbol_Hall     '-C 2ac 2 (z,y,-x)'
_cod_original_formula_sum        'I2 Mo1'
_cod_database_code               1529547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x,-y,z
-x+1/2,y,-z+1/2
-x,-y,-z
-x-1/2,y,z-1/2
x,y,-z
x-1/2,-y,z-1/2
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z
x,y+1/2,-z+1/2
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
I4 I-1 0 0 0.2968 1 0.0
Mo3 Mo+2 0 0 0.1193 1 0.0
I3 I-1 -0.3492 0.1505 0 1 0.0
I1 I-1 -0.0733 0.2086 0.1237 1 0.0
Mo2 Mo+2 -0.1356 0.0654 0 1 0.0
I2 I-1 0.2085 0.0736 0.1233 1 0.0
Mo1 Mo+2 0.0653 0.1357 0 1 0.0
