#------------------------------------------------------------------------------
#$Date: 2018-08-07 19:35:21 +0200 (mar 07 de ago de 2018) $
#$Revision: 209452 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/00/1100048.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_1100048
loop_
_publ_author_name
'Braun, J.'
'Ellner, M.'
'Predel, B.'
_publ_section_title
;
Zur struktur der hochtemperaturphase Cr₅Al₈(h)
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              444
_journal_page_last               448
_journal_paper_doi               10.1016/0925-8388(92)90766-3
_journal_volume                  183
_journal_year                    1992
_chemical_formula_sum            'Al2 Cr'
_chemical_name_structure_type    Cu5Zn8
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            17.33
_cell_length_a                   9.090
_cell_length_b                   9.090
_cell_length_c                   9.090
_cell_volume                     751.09
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_database_code               1100048
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,-z
x,-y,-z
z,x,y
z,-x,-y
-z,-x,y
-z,x,-y
y,z,x
-y,z,-x
y,-z,-x
-y,-z,x
y,x,z
-y,-x,z
y,-x,-z
-y,x,-z
x,z,y
-x,z,-y
-x,-z,y
x,-z,-y
z,y,x
z,-y,-x
-z,y,-x
-z,-y,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,z+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
z+1/2,y+1/2,x+1/2
z+1/2,-y+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_type_symbol
Cr 8 c 0.8300 0.8300 0.8300 1.0000 Cr
Al1 8 c 0.1062 0.1062 0.1062 0.7500 Al
Cr1 8 c 0.1062 0.1062 0.1062 0.2500 Cr
Al2 12 e 0.3522 0.0000 0.0000 0.1670 Al
Cr2 12 e 0.3522 0.0000 0.0000 0.8330 Cr
Al 24 g 0.3087 0.3087 0.0394 1.0000 Al
