#------------------------------------------------------------------------------
#$Date: 2015-07-13 06:23:11 +0200 (Mon, 13 Jul 2015) $
#$Revision: 150009 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528099.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_1528099
loop_
_publ_author_name
'Straehle, J.'
'Liebelt, A.'
'Beyendorff, G.'
'Dehnicke, K.'
_publ_section_title
;
 Die Reaktion von Molybdaenpentachlorid mit Trichlornitromethan; die
 Kristallstruktur von ((Mo O Cl3)*(P O Cl3))2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              171
_journal_page_last               181
_journal_volume                  474
_journal_year                    1981
_chemical_formula_sum            'Cl12 Mo2 O4 P2'
_chemical_name_systematic        '((P O Cl3) O Cl2 Mo Cl2 Mo O Cl2 (P O Cl3))'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.27
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.264
_cell_length_b                   13.341
_cell_length_c                   12.089
_cell_volume                     994.068
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Straehle_ZAACAB_1981_1381.cif
_cod_data_source_block           Cl12Mo2O4P2
_cod_original_cell_volume        994.0681
_cod_database_code               1528099
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cl2 Cl-1 0.0082 0.2429 0.1582 1 0.0
O2 O-2 0.2817 0.0468 0.1651 1 0.0
Cl4 Cl-1 0.2032 0.0359 0.3896 1 0.0
P1 P+5 0.3953 0.0317 0.2787 1 0.0
Mo1 Mo+5 0.0769 0.1326 0.0218 1 0.0
Cl5 Cl-1 0.5397 -0.098 0.2977 1 0.0
Cl3 Cl-1 0.1916 -0.0148 -0.0762 1 0.0
Cl1 Cl-1 0.3953 0.2087 0.0032 1 0.0
Cl6 Cl-1 0.6189 0.1315 0.3267 1 0.0
O1 O-2 -0.0886 0.1762 -0.0868 1 0.0
