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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/1/53/65/1536534.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_1536534
loop_
_publ_author_name
'Khaenko, B.V.'
'Gnitetskii, O.A.'
_publ_section_title
;
 Crystal structure of Nb2C carbide low temperature ordered modification
;
_journal_name_full               Kristallografiya
_journal_page_first              55
_journal_page_last               60
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'C Nb1.91'
_chemical_name_systematic        'Nb2 C'
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9391
_cell_length_b                   3.0989
_cell_length_c                   4.9819
_cell_volume                     168.882
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Khaenko_KRISAJ_1993_1389.cif
_cod_data_source_block           C1Nb1.91
_cod_original_cell_volume        168.8823
_cod_original_formula_sum        'C1 Nb1.91'
_cod_database_code               1536534
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
Nb8 Nb+2 0.9123 0 0.498 1 0.0
C4 C-4 0.592 0 0.724 1 0.0
Nb6 Nb+2 0.502 0.5 -0.015 0.88 0.0
Nb5 Nb+2 0.7524 0 -0.018 0.87 0.0
Nb1 Nb+2 0.2534 0 0.016 1 0.0
C2 C-4 0.086 0 0.247 1 0.0
Nb4 Nb+2 0.4129 0 0.495 1 0.0
Nb7 Nb+2 0.1632 0.5 0.514 1 0.0
C1 C-4 0.836 0.5 0.233 1 0.0
C3 C-4 0.341 0.5 0.744 1 0.0
Nb2 Nb+2 0.0033 0.5 0.014 1 0.0
Nb3 Nb+2 0.6642 0.5 0.499 0.89 0.0
