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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/1/51/15/1511593.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_1511593
loop_
_publ_author_name
'Mykhalenko, S.'
'Kuz'ma, Yu.B.'
'Babizhet'sky, V.S.'
_publ_section_title
;
 New compound in the system Sc - Cr - B
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              439
_journal_page_last               443
_journal_paper_doi               10.1016/j.jssc.2003.02.004
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'B6 Cr Sc2'
_chemical_name_systematic        'Sc2 Cr B6'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7909
_cell_length_b                   11.0541
_cell_length_c                   3.2996
_cell_volume                     320.640
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_243.cif
_cod_data_source_block           B6Cr1Sc2
_cod_original_cell_volume        320.6402
_cod_original_formula_sum        'B6 Cr1 Sc2'
_cod_database_code               1511593
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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
Sc1 Sc 0.8223 0.08623 0 1 0.0
Sc2 Sc 0.44456 0.1287 0 1 0.0
Cr1 Cr 0.14313 0.18254 0 1 0.0
B6 B 0.0973 0.4737 0.5 1 0.0
B2 B 0.2555 0.08 0.5 1 0.0
B3 B 0.2973 0.2378 0.5 1 0.0
B4 B 0.1295 0.3197 0.5 1 0.0
B5 B 0.4805 0.2875 0.5 1 0.0
B1 B 0.0541 0.0651 0.5 1 0.0
