#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/41/4344195.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_4344195
loop_
_publ_author_name
'Brencic, J.V.'
'Cotton, F.A.'
_publ_section_title
;
 The Octachlorodimolybdate(II) Ion. A New Species with a Quadruple
 Metal-Metal Bond
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7
_journal_page_last               10
_journal_volume                  8
_journal_year                    1969
_chemical_formula_sum            'Cl8 H4 K4 Mo2 O2'
_chemical_name_systematic        'K4 Mo2 Cl8 (H2 O)2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.005
_cell_length_b                   13.267
_cell_length_c                   8.059
_cell_volume                     855.885
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Brencic_INOCAJ_1969_1053.cif
_cod_data_source_block           H4Cl8K4Mo2O2
_cod_original_cell_volume        855.8846
_cod_original_formula_sum        'H4 Cl8 K4 Mo2 O2'
_cod_database_code               4344195
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
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
K2 K+1 0.2456 0.1944 0.5 1 0.0
Cl1 Cl-1 -0.0659 0.1741 0.2157 1 0.0
Cl2 Cl-1 0.2883 0.0397 0.2084 1 0.0
Mo2 Mo+2 0.0763 0.068 0 0.07 0.0
O1 O-2 0.0851 0.3764 0.5 1 0.0
Mo1 Mo+2 0 0 0.13269 0.93 0.0
K1 K+1 0.0895 0.3472 0 1 0.0
