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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/10/1541092.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_1541092
loop_
_publ_author_name
'Patt-Siebel, U.'
'Mueller, U.'
'Khabou, A.'
'Dehnicke, K.'
_publ_section_title
;
 (Cl3 P N P Cl3) (Mo N Cl4), eine Verbindung mit strangartig assoziierten
 Anionen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              91
_journal_page_last               96
_journal_volume                  569
_journal_year                    1989
_chemical_formula_sum            'Cl10 Mo N2 P2'
_chemical_name_systematic        '((Cl3 P)2 N) (Mo N 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                   15.9
_cell_length_b                   11.416
_cell_length_c                   4.18
_cell_volume                     758.730
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Patt-Siebel_ZAACAB_1989_1178.cif
_cod_data_source_block           Cl10Mo1N2P2
_cod_original_cell_volume        758.7302
_cod_original_formula_sum        'Cl10 Mo1 N2 P2'
_cod_database_code               1541092
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
N2 N-3 0.1608 0.4282 0 0.5 0.0
Cl7 Cl-1 0.0698 0.3394 0.558 0.5 0.0
N1 N-2 0 0 0.5 1 0.0
P1 P+5 0.1608 0.4282 0.353 0.5 0.0
Cl8 Cl-1 0.0698 0.3394 -0.558 0.5 0.0
Cl4 Cl-1 0.1533 0.5855 -0.567 0.5 0.0
Cl1 Cl-1 0.1309 0.0901 0 1 0.0
Cl5 Cl-1 0.2637 0.3656 0.57 0.5 0.0
Cl3 Cl-1 0.1533 0.5855 0.567 0.5 0.0
Mo1 Mo+5 0 0 0.082 0.44 0.0
Mo2 Mo+5 0 0 -0.082 0.56 0.0
Cl6 Cl-1 0.2637 0.3656 -0.57 0.5 0.0
P2 P+5 0.1608 0.4282 -0.353 0.5 0.0
Cl2 Cl-1 -0.0647 0.1842 0 1 0.0
