#------------------------------------------------------------------------------
#$Date: 2014-04-23 13:48:26 +0300 (Wed, 23 Apr 2014) $
#$Revision: 111488 $
#$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
_journal_name_full               'Z. Kristallogr. A'
_journal_volume                  96
_chemical_formula_sum              'Al8 Cr5'
_chemical_name_structure_type      'Al8Cr5'
_publ_section_title
;
  The Crystal Structures of Cr~2~Al and Cr~2~Al~8~
;

#  Publication Data

_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_[local]_cod_cif_authors_sg_H-M  'R 3 m'
loop_
_publ_author_name
'A. J. Bradley'
'S. S. Lu'
_journal_year                      1937
_journal_page_first                20
_journal_page_last                 37
_journal_paper_doi                 10.1524/zkri.1937.96.1.20

_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
;

#  Unit Cell Data

_cell_length_a                     7.805
_cell_length_b                     7.805
_cell_length_c                     7.805
_cell_angle_alpha                 109.127
_cell_angle_beta                  109.127
_cell_angle_gamma                 109.127
_cell_volume                       370.60
_cell_formula_units_Z              2

#  Space Group

_symmetry_cell_setting             rhombohedral

loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'z,x,y'
'y,z,x'
'y,x,z'
'x,z,y'
'z,y,x'

#  Atomic Coordinates

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
_cod_database_code 1100049