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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/1/52/59/1525962.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_1525962
loop_
_publ_author_name
'Mattesini, M.'
'Matar, S.F.'
_publ_section_title
;
 Search for ultra-hard materials : theoretical characterisation of novel
 orthorhombic B C2 N crystals
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              943
_journal_page_last               957
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'C2 B N'
_chemical_name_systematic        'B C2 N'
_space_group_IT_number           17
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5536
_cell_length_b                   3.5986
_cell_length_c                   3.5528
_cell_volume                     45.433
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Mattesini_IJIMCR_2001_1070.cif
_cod_data_source_block           C2B1N1
_cod_original_cell_volume        45.43315
_cod_original_formula_sum        'C2 B1 N1'
_cod_database_code               1525962
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-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
C2 C 0.5 0.255 0.25 1 0.0
B1 B 0 0.748 0.25 1 0.0
N1 N 0.258 0 0 1 0.0
C1 C 0.742 0.5 0 1 0.0
