#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/35/1533541.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_1533541
loop_
_publ_author_name
'Arumugam, N.'
'Hoennerscheid, A.'
'Jansen, M.'
_publ_section_title
;
 A new oxynitride compound of molybdenum, Na3 Mo O3 N - synthesis via the
 azide route
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              939
_journal_page_last               941
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Mo N Na3 O3'
_chemical_name_systematic        'Na3 Mo O3 N'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.2463
_cell_length_b                   6.2498
_cell_length_c                   5.6386
_cell_volume                     255.360
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Arumugam_ZAACAB_2003_1103.cif
_cod_data_source_block           Mo1N1Na3O3
_cod_original_cell_volume        255.3605
_cod_original_formula_sum        'Mo1 N1 Na3 O3'
_cod_database_code               1533541
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,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
Na2 Na+1 0.244 0.3277 0.984 1 0.0
Mo1 Mo+6 0 0.8257 0 1 0.0
O2 O-2 0.2056 0.6902 0.8975 1 0.0
Na1 Na+1 0.5 0.8386 0.981 1 0.0
N1 N-3 0.5 0.173 0.8194 1 0.0
O1 O-2 0 0.101 0.8975 1 0.0
