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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/64/1536430.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_1536430
loop_
_publ_author_name
'Dinh, Q.T.'
'Richter, M.'
'Niquet, E.'
'Straehle, J.'
_publ_section_title
;
 Synthese und Struktur von Mo2 N Cl7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1255
_journal_page_last               1258
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl7 Mo2 N'
_chemical_name_systematic        'Mo2 N Cl7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.13
_cell_angle_beta                 109.83
_cell_angle_gamma                98.58
_cell_formula_units_Z            4
_cell_length_a                   9.057
_cell_length_b                   9.754
_cell_length_c                   12.834
_cell_volume                     1006.495
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dinh_ZAACAB_2002_544.cif
_cod_data_source_block           Cl7Mo2N1
_cod_original_cell_volume        1006.494
_cod_original_formula_sum        'Cl7 Mo2 N1'
_cod_database_code               1536430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Mo2 Mo+5 0.85645 0.57376 0.67688 1 0.0
N2 N-3 0.749 0.5029 0.7484 1 0.0
Cl5 Cl-1 0.7495 0.7835 0.6907 1 0.0
Cl14 Cl-1 0.5979 0.0043 0.9034 1 0.0
Cl7 Cl-1 0.6791 0.4561 0.4944 1 0.0
Cl13 Cl-1 0.4244 -0.0747 0.6035 1 0.0
Cl3 Cl-1 1.0255 0.7258 0.584 1 0.0
Cl2 Cl-1 1.0548 1.0832 0.898 1 0.0
Cl8 Cl-1 0.4845 0.5886 0.8098 1 0.0
Cl11 Cl-1 0.3851 0.2552 0.6397 1 0.0
Cl4 Cl-1 1.0906 0.7556 0.8462 1 0.0
Cl1 Cl-1 0.9308 1.0494 0.6081 1 0.0
Mo3 Mo+5 0.61295 0.40712 0.81949 1 0.0
Mo4 Mo+5 0.47094 0.10092 0.76646 1 0.0
Mo1 Mo+5 1.0526 0.93525 0.73391 1 0.0
N1 N-3 0.2505 0.007 0.7548 1 0.0
Cl9 Cl-1 0.8087 0.498 0.9978 1 0.0
Cl12 Cl-1 0.4308 0.2945 0.8977 1 0.0
Cl6 Cl-1 1.0331 0.4323 0.6937 1 0.0
Cl10 Cl-1 0.7321 0.2129 0.7666 1 0.0
