#------------------------------------------------------------------------------
#$Date: 2015-10-09 23:43:01 +0200 (vie 09 de oct de 2015) $
#$Revision: 163467 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106913.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106913
loop_
_publ_author_name
'Neidhard, H.'
'Mattes, R.'
'Becher, H.J.'
_publ_section_title
;
 Zur Darstellung und Struktur eines aluminiumhaltigen Borcarbids
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              315
_journal_page_last               317
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'C4 Al0.84 B39.82'
_chemical_name_systematic        'Al0.84 B39.82 C4'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.642
_cell_length_b                   5.642
_cell_length_c                   12.367
_cell_volume                     340.927
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Neidhard_ACBCAR_1970_588.cif
_cod_data_source_block           C4Al0.84B39.82
_cod_original_cell_volume        340.9268
_cod_database_code               2106913
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
C1 C 0 0 0.3808 0.67 0.0
B1 B 0.1715 -0.1715 0.024 1 0.0
B3 B 0 0 0.5 0.61 0.0
B4 B 0 0 0.3808 0.33 0.0
Al1 Al 0.4546 -0.4546 0.1542 0.05 0.0
B2 B 0.1081 -0.1081 0.8877 1 0.0
