#------------------------------------------------------------------------------
#$Date: 2015-10-21 19:33:00 +0300 (Wed, 21 Oct 2015) $
#$Revision: 169416 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/01/1540198.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_1540198
loop_
_publ_author_name
'Kalinin, V.P.'
_publ_section_title
;
 The crystal structure of Zr2 N D1.54
;
_journal_name_full
'Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)'
_journal_page_first              842
_journal_page_last               844
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'D3 N2 Zr4'
_chemical_name_systematic        'Zr4 D3 N2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.278
_cell_length_b                   3.278
_cell_length_c                   5.41
_cell_volume                     50.344
_citation_journal_id_ASTM        UFZHAT
_cod_data_source_file            Kalinin_UFZHAT_1970_410.cif
_cod_data_source_block           D3N2Zr4
_cod_original_cell_volume        50.34378
_cod_database_code               1540198
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,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 0 0 0 1 0.0
Zr1 Zr 0.3333 0.6667 0.239 1 0.0
D1 D 0.3333 0.6667 0.625 0.77 0.0
