#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/12/1541269.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_1541269
loop_
_publ_author_name
'Mueller, U.'
'Conradi, E.'
'Dehnicke, K.'
'Patt-Siebel, U.'
'Khabou, A.'
'Kersting, M.'
'Schmidt, I.'
_publ_section_title
;
 Spektroskopische und kristallographische Charakterisierung von (Cl3 P N P
 Cl3) (Mo O Cl4) und die Kristallstruktur von (Cl3 P N P Cl3) (Mo Cl6)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              93
_journal_page_last               104
_journal_volume                  560
_journal_year                    1988
_chemical_formula_sum            'Cl10 Mo N O P2'
_chemical_name_systematic        '((Cl3 P)2 N) (Mo O Cl4)'
_space_group_IT_number           32
_symmetry_space_group_name_Hall  'P 2 -2ab'
_symmetry_space_group_name_H-M   'P b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.984
_cell_length_b                   11.412
_cell_length_c                   4.151
_cell_volume                     757.181
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_1988_125.cif
_cod_data_source_block           Cl10Mo1N1O1P2
_cod_original_cell_volume        757.1815
_cod_original_formula_sum        'Cl10 Mo1 N1 O1 P2'
_cod_database_code               1541269
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
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
N1 N-3 0.158 0.427 0.01 0.5 0.0
P1 P+5 0.1572 0.43 0.351 0.5 0.0
Cl4 Cl-1 0.2622 0.3667 0.564 0.5 0.0
Mo2 Mo+5 0 0 -0.104 0.263 0.0
Mo1 Mo+5 0 0 0.099 0.737 0.0
Cl5 Cl-1 0.0687 0.344 0.555 0.5 0.0
Cl7 Cl-1 0.2622 0.3667 -0.589 0.5 0.0
Cl2 Cl-1 -0.0646 0.1821 0 1 0.0
Cl1 Cl-1 0.1289 0.0902 0 1 0.0
Cl6 Cl-1 0.1547 0.5882 -0.574 0.5 0.0
P2 P+5 0.1572 0.43 -0.358 0.5 0.0
Cl3 Cl-1 0.1547 0.5882 0.556 0.5 0.0
O1 O-2 0 0 0.5 1 0.0
Cl8 Cl-1 0.0687 0.344 -0.556 0.5 0.0
