#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530507.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_1530507
loop_
_publ_author_name
'Okumura, Hajime'
'Taga, Tooru'
'Osaki, Kenji'
'Tsujikawa, Ikuji'
_publ_section_title
;
 A Molybdenum polynuclear complex as small metallic particles
;
_journal_issue                   1
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              307
_journal_page_last               308
_journal_paper_doi               10.1246/bcsj.55.307
_journal_volume                  55
_journal_year                    1982
_chemical_formula_sum            'Cl14 H18 Mo6 O8'
_chemical_name_systematic        '(H3 O)2 (Mo6 Cl8) Cl6 (H2 O)6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.27
_cell_length_b                   9.17
_cell_length_c                   18.55
_cell_volume                     2909.098
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Okumura_BCSJA8_1982_900.cif
_cod_data_source_block           H18Cl14Mo6O8
_cod_original_formula_sum        'H18 Cl14 Mo6 O8'
_cod_database_code               1530507
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O1 O-2 0.5837 0.1688 0.2849 1 0.0
Cl4 Cl-1 0.3416 0.177 0.3784 1 0.0
Cl2 Cl-1 0.137 0.1605 0.3682 1 0.0
Mo3 Mo+2 0.1434 0.2501 0.4941 1 0.0
Mo1 Mo+2 0.2427 0.3419 0.4111 1 0.0
Mo2 Mo+2 0.2456 0.0714 0.455 1 0.0
Cl3 Cl-1 0.3448 0.5085 0.4627 1 0.0
Cl5 Cl-1 0.0029 0.2508 0.4891 1 0.0
O2 O-2 0.5301 0.38 0.364 1 0.0
Cl7 Cl-1 0.2451 0.8405 0.3928 1 0.0
Cl1 Cl-1 0.147 0.5069 0.4539 1 0.0
O3 O-2 0.4179 0.7861 0.3327 1 0.0
O4 O-2 0.4116 0.175 0.0118 1 0.0
Cl6 Cl-1 0.2321 0.4634 0.296 1 0.0
