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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511241.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_1511241
loop_
_publ_author_name
'Klesnar, H.'
'Fischer, P.'
'Rogl, P.'
_publ_section_title
;
 Neutron powder diffraction of Nb2BN1-x
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              450
_journal_page_last               452
_journal_volume                  71
_journal_year                    1988
_chemical_formula_sum            'B N0.975 Nb2'
_chemical_name_systematic        'Nb2 B N.975'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.172
_cell_length_b                   17.841
_cell_length_c                   3.114
_cell_volume                     176.226
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            boron0-1_361.cif
_cod_data_source_block           B1N0.975Nb2
_cod_original_cell_volume        176.2264
_cod_original_formula_sum        'B1 N0.975 Nb2'
_cod_database_code               1511241
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
B1 B 0 0.4724 0.25 1 0.0
Nb1 Nb 0 0.073 0.25 1 0.0
N1 N 0 0.1939 0.25 0.975 0.0
Nb2 Nb 0 0.318 0.25 1 0.0
