#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528097.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_1528097
loop_
_publ_author_name
'Straehle, J.'
_publ_section_title
;
 Die Kristallstruktur von Molybdaennitridchloride, Mo N Cl3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              238
_journal_page_last               254
_journal_volume                  375
_journal_year                    1970
_chemical_formula_sum            'Cl3 Mo N'
_chemical_name_systematic        'Mo N Cl3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.8
_cell_angle_beta                 99.3
_cell_angle_gamma                108.6
_cell_formula_units_Z            4
_cell_length_a                   9.14
_cell_length_b                   7.67
_cell_length_c                   8.15
_cell_volume                     489.851
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Straehle_ZAACAB_1970_1255.cif
_cod_data_source_block           Cl3Mo1N1
_cod_original_formula_sum        'Cl3 Mo1 N1'
_cod_database_code               1528097
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
N1 N-3 0.39 0.5649 0.7082 1 0.0
N2 N-3 0.307 0.432 0.321 1 0.0
Cl6 Cl-1 0.4909 0.6928 0.149 1 0.0
Cl3 Cl-1 0.2996 0.811 0.5188 1 0.0
Mo2 Mo+6 0.36395 0.36237 0.13369 1 0.0
Cl4 Cl-1 0.3393 0.0484 0.1021 1 0.0
Cl2 Cl-1 0.0619 0.584 0.7349 1 0.0
Mo1 Mo+6 0.22568 0.51635 0.55554 1 0.0
Cl1 Cl-1 0.1179 0.1755 0.4546 1 0.0
Cl5 Cl-1 0.1345 0.2741 -0.0788 1 0.0
