#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100049.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.
#
#  Crystal Data
data_1100049
loop_
_publ_author_name
'A. J. Bradley'
'S. S. Lu'
_publ_section_title
;
  The Crystal Structures of Cr~2~Al and Cr~2~Al~8~
;
_journal_issue                   1
_journal_name_full               'Z. Kristallogr. A'
_journal_page_first              20
_journal_page_last               37
_journal_paper_doi               10.1524/zkri.1937.96.1.20
_journal_volume                  96
_journal_year                    1937
_chemical_formula_sum            'Al8 Cr5'
_chemical_name_structure_type    Al8Cr5
_space_group_IT_number           160
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                109.127
_cell_angle_beta                 109.127
_cell_angle_gamma                109.127
_cell_formula_units_Z            2
_cell_length_a                   7.805
_cell_length_b                   7.805
_cell_length_c                   7.805
_cell_volume                     370.60
_cod_depositor_comments
;
    Publication title and DOI restored from
    http://www.wuli.ac.cn/fileup/PDF/20051011.pdf and
    http://dx.doi.org/10.1524/zkri.1937.96.1.20

    Saulius Gra\<zulis
    2014-04-23
;
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               1100049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
x,z,y
z,y,x
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_type_symbol
Cr1 1 a 0.1940 0.1940 0.1940 1.0000 Cr
Cr2 3 b 0.0030 0.0030 0.7940 1.0000 Cr
Cr3 3 b 0.9980 0.9980 0.3400 1.0000 Cr
Cr4 3 b 0.3550 0.3550 0.0060 1.0000 Cr
Al1 1 a 0.6720 0.6720 0.6720 1.0000 Al
Al2 3 b 0.6540 0.6540 0.0120 1.0000 Al
Al3 3 b 0.3490 0.3490 0.5820 1.0000 Al
Al4 3 b 0.7220 0.7220 0.3560 1.0000 Al
Al5 6 c 0.0330 0.2880 0.6610 1.0000 Al