#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012394.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012394
loop_
_publ_author_name
'Lambert-Andron B'
'Dhahri, E.'
'Chaudouet, P.'
'Madar, R.'
_publ_section_title
;
 Crystal structure of Rh12As7
 Locality: synthetic
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               358
_journal_volume                  108
_journal_year                    1985
_chemical_formula_sum            'As3.5 Rh6'
_chemical_name_mineral           Polkanovite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.315
_cell_length_b                   9.315
_cell_length_c                   3.659
_cell_volume                     274.953
_exptl_crystal_density_diffrn    10.625
_[local]_cod_chemical_formula_sum_orig 'Rh6 As3.5'
_cod_database_code               9012394
_amcsd_database_code             AMCSD#0013082
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Rh1 0.00663 0.00656 0.00977 0.00692 0.00000 0.00000
Rh2 0.01886 0.00745 0.00746 0.01253 0.00000 0.00000
As1 0.00429 0.00626 0.00760 0.00396 0.00000 0.00000
As2 0.01517 0.01517 0.09156 0.01517 0.00000 0.00000
As3 0.00056 0.00056 0.14447 0.00056 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rh1 0.51580 0.38020 0.25000 1.00000
Rh2 0.24360 0.00860 0.25000 1.00000
As1 0.28550 0.44590 0.25000 1.00000
As2 0.00000 0.00000 0.25000 0.30000
As3 0.00000 0.00000 0.00000 0.20000