#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/00/2020027.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2020027
loop_
_publ_author_name
'Cenzual, K.'
'Chabot, B.'
'Parthe, E.'
_publ_section_title
;
 Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related
 crystal structures with rhodium- and osmium-centered icosahedra
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              313
_journal_page_last               319
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'Rh13 Sc57'
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.405
_cell_length_b                   14.405
_cell_length_c                   14.405
_cell_volume                     2989.095
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cenzual_ACSCEE_1985_1946.cif
_cod_data_source_block           Rh13Sc57
_cod_database_code               2020027
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
-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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Rh4 Rh 0.5 0.8338 0.702 1 0.0
Rh3 Rh 0 0.3337 0.2023 1 0.0
Sc8 Sc 0.1122 0.1866 0.2978 1 0.0
Sc1 Sc 0.3746 0 0 1 0.0
Sc9 Sc 0.6145 0.6796 0.792 1 0.0
Sc4 Sc 0 0.3915 0.369 1 0.0
Sc7 Sc 0.5 0.6758 0.6097 1 0.0
Sc6 Sc 0.5 0.8257 0.8971 1 0.0
Sc3 Sc 0.8618 0.5 0.5 1 0.0
Rh1 Rh 0 0 0 1 0.0
Sc5 Sc 0 0.1789 0.1076 1 0.0
Rh2 Rh 0.5 0.5 0.5 1 0.0
Sc2 Sc 0.2271 0.5 0 1 0.0
