#------------------------------------------------------------------------------
#$Date: 2015-10-09 19:52:58 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162572 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535279.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_1535279
loop_
_publ_author_name
'Hillebrecht, H.'
'Gebhardt, K.'
_publ_section_title
;
 Crystal structures from a building set: the first boridecarbides of
 niobium
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1445
_journal_page_last               1447
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C4 B4 Nb7'
_chemical_name_systematic        'Nb7 B4 C4'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.1541
_cell_length_b                   3.2166
_cell_length_c                   32.261
_cell_volume                     327.303
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Hillebrecht_ACIEF5_2001_41.cif
_cod_data_source_block           C4B4Nb7
_cod_original_cell_volume        327.3033
_cod_database_code               1535279
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
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
Nb1 Nb 0.5 0.5 0.14725 1 0.0
B2 B 0.5 0.5 0.05782 1 0.0
Nb2 Nb 0 0 0.21445 1 0.0
B1 B 0 0.5 0.02855 1 0.0
C2 C 0 0 0.14722 1 0.0
Nb3 Nb 0 0 0.08165 1 0.0
Nb4 Nb 0.5 0 0 1 0.0
C1 C 0.5 0.5 0.21519 1 0.0
