#------------------------------------------------------------------------------
#$Date: 2015-10-14 16:20:15 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 168627 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/16/4031693.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_4031693
loop_
_publ_author_name
'Edwards, A.J.'
'Slim, D.R.'
_publ_section_title
;
 The crystal structure of Nonachlorodimolybdenum(V)
 heptachlorodioxodimolybdate(V)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              485
_journal_page_last               487
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'Cl16 Mo4 O2'
_chemical_name_systematic        '(Cl Mo2 Cl8) (Cl3 Mo2 Cl4 O2)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.01
_cell_length_b                   6.27
_cell_length_c                   17.89
_cell_volume                     1099.096
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Edwards_JCDTBI_1988_133.cif
_cod_data_source_block           Cl16Mo4O2
_cod_database_code               4031693
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
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
Cl4 Cl-1 0.1589 -0.4371 0.2992 1 0.0
O1 O-2 0.2994 -0.056 0.3579 1 0.0
Cl2 Cl-1 0.0887 0.1455 0.4209 1 0.0
Cl8 Cl-1 0.3349 0.1923 0.2174 1 0.0
Cl9 Cl-1 0.5 -0.2342 0.25 1 0.0
Mo1 Mo+5 0.1068 -0.1831 0.3751 1 0.0
Cl1 Cl-1 0.2168 -0.3224 0.4856 1 0.0
Cl7 Cl-1 0.5983 -0.1254 0.4288 1 0.0
Cl3 Cl-1 -0.0974 -0.3081 0.3869 1 0.0
Cl6 Cl-1 0.4456 0.3579 0.3989 1 0.0
Cl5 Cl-1 0 0.0002 0.25 1 0.0
Mo2 Mo+5 0.4432 0.0448 0.3389 1 0.0
