#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012393.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_9012393
loop_
_publ_author_name
'Pivan, J. Y.'
'Guerin, R.'
'Sergent, M.'
_publ_section_title
;
 Rh12As7, a host structure for rare earth elements: Crystal structures of
 Rh12As7 and Ho2Rh12As7
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              249
_journal_page_last               258
_journal_volume                  107
_journal_year                    1985
_chemical_formula_sum            'As3.5 Ho Rh6'
_chemical_name_mineral           Ho2Rh12As7
_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                   9.892
_cell_length_b                   9.892
_cell_length_c                   3.859
_cell_volume                     327.019
_exptl_crystal_density_diffrn    10.608
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_12595'
_[local]_cod_chemical_formula_sum_orig 'Ho Rh6 As3.5'
_cod_original_cell_volume        327.020
_cod_database_code               9012393
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ho 0.66667 0.33333 0.25000 1.00000 0.00456
RhI 0.06500 0.44600 0.25000 1.00000 0.00380
RhII 0.26300 0.14920 0.25000 1.00000 0.00621
AsI 0.00000 0.00000 0.10400 0.25000 0.00494
AsII 0.28900 0.40800 0.25000 1.00000 0.02406
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
Ho 0.00521 0.00521 0.00211 0.00149 0.00000 0.00000
RhI 0.00558 0.00409 0.00272 0.00335 0.00000 0.00000
RhII 0.01227 0.00595 0.00317 0.00669 0.00000 0.00000
AsI 0.00483 0.00521 0.00453 0.00223 0.00000 0.00000
AsII 0.00669 0.00669 0.05734 0.00186 0.00000 0.00000