#------------------------------------------------------------------------------
#$Date: 2015-07-12 18:00:54 +0200 (dom 12 de jul de 2015) $
#$Revision: 147314 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526184.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_1526184
loop_
_publ_author_name
'Okada, S.'
'Leithe-Jasper, A.'
'Tanaka, T.'
'Michiue, Y.'
'Gurin, V.N.'
_publ_section_title
;
 Crystal growth and structure analysis of a new scandium aluminum boride
 Sc2 Al B6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              49
_journal_page_last               53
_journal_volume                  154
_journal_year                    2000
_chemical_formula_sum            'Al0.9 B6 Sc2'
_chemical_name_systematic        'Sc2 Al0.9 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                   8.937
_cell_length_b                   11.226
_cell_length_c                   3.433
_cell_volume                     344.422
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Okada_JSSCBI_2000_12.cif
_cod_data_source_block           Al0.9B6Sc2
_cod_original_cell_volume        344.4218
_cod_database_code               1526184
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
Sc2 Sc 0.44388 0.12831 0 1 0.0
B1 B 0.0516 0.0631 0.5 1 0.0
B6 B 0.0995 0.4727 0.5 1 0.0
B5 B 0.4782 0.2885 0.5 1 0.0
B4 B 0.1306 0.3195 0.5 1 0.0
Sc1 Sc 0.82017 0.08649 0 1 0.0
B3 B 0.2978 0.2384 0.5 1 0.0
Al1 Al 0.14085 0.18003 0 0.9 0.0
B2 B 0.2534 0.0782 0.5 1 0.0
