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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511565.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_1511565
loop_
_publ_author_name
'Kossobutzki, K.H.'
'Will, G.'
_publ_section_title
;
 X-ray diffraction analysis of B50 C2 and B50 N2 crystallizing in the
 tetragonal boron lattice
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              33
_journal_page_last               38
_journal_paper_doi               10.1016/0022-5088(76)90070-9
_journal_volume                  47
_journal_year                    1976
_chemical_formula_sum            'B50.06 N1.87'
_space_group_IT_number           134
_symmetry_space_group_name_Hall  'P 4n 2 -1n'
_symmetry_space_group_name_H-M   'P 42/n n m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.634
_cell_length_b                   8.634
_cell_length_c                   5.128
_cell_volume                     382.272
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron4-x_206.cif
_cod_data_source_block           B50.06N1.87
_cod_original_cell_volume        382.2716
_cod_original_sg_symbol_Hall     '-P 4ac 2bc (x-1/4,y+1/4,z-1/4)'
_cod_database_code               1511565
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y,-z
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y,-x,-z
x+1/2,y+1/2,-z+1/2
-y,x,-z
-x+1/2,y+1/2,z+1/2
-y,-x,z
x+1/2,-y+1/2,z+1/2
y,x,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
B7 B 0 0.5 0.865 0.026 0.0
B3 B 0.1197 0.1197 0.371 1 0.0
B4 B 0.2457 0.2457 0.5853 1 0.0
B5 B 0 0 0 0.014 0.0
B2 B 0.2278 0.0811 0.0863 1 0.0
B1 B 0.3242 0.0871 0.3993 1 0.0
N1 N 0 0 0.5 0.929 0.0
B6 B 0.431 0 0 0.23 0.0
