#------------------------------------------------------------------------------
#$Date: 2015-10-13 20:34:44 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167584 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/88/1538886.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_1538886
loop_
_publ_author_name
'Molodovskaya, E.K.'
'Em, V.T.'
'Polishchuk, V.S.'
'Karimov, I.'
_publ_section_title
;
 An investigation of ordering in niobium nitride
;
_journal_name_full               'Physics of Metals and Metallography'
_journal_page_first              165
_journal_page_last               167
_journal_volume                  57
_journal_year                    1984
_chemical_formula_sum            'N2.62 Nb4'
_chemical_name_systematic        'Nb4 N2.62'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4
_cell_length_b                   4.4
_cell_length_c                   8.74
_cell_volume                     169.206
_citation_journal_id_ASTM        PHMMA6
_cod_data_source_file            Molodovskaya_PHMMA6_1984_752.cif
_cod_data_source_block           N2.62Nb4
_cod_original_cell_volume        169.2064
_cod_database_code               1538886
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
N1 N 0 0 0 0.62 0.0
Nb2 Nb 0 0 0.25 1 0.0
Nb1 Nb 0 0.5 0 1 0.0
N2 N 0 0.5 0.25 1 0.0
