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#$Date: 2015-09-17 23:16:01 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156892 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531425.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.
#
data_1531425
loop_
_publ_author_name
'Grytsiv, A.V.'
'Berger, S.'
'Rogl, P.'
'Paul, C.'
'Godart, C.'
'Lottermoser, W.'
'Knoll, P.'
'Michor, H.'
'Hilscher, G.'
'Bauer, E.'
'Ferro, R.'
'Saccone, A.'
'Musso, M.'
'Roisnel, T.'
'Noel, H.'
_publ_section_title
;
 A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria
 and physical properties
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              7071
_journal_page_last               7090
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Ni4 Sb6.7 Sn5.3 Yb0.58'
_chemical_name_systematic        'Yb0.58 Ni4 (Sb6.7 Sn5.3)'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1399
_cell_length_b                   9.1399
_cell_length_c                   9.1399
_cell_volume                     763.527
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Grytsiv_JCOMEL_2002_1948.cif
_cod_data_source_block           Ni4Sb6.7Sn5.3Yb0.58
_cod_original_cell_volume        763.5269
_cod_database_code               1531425
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
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
-z+1/2,-x+1/2,-y+1/2
z+1/2,x+1/2,-y+1/2
-z+1/2,x+1/2,y+1/2
z+1/2,-x+1/2,y+1/2
-y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,x+1/2
y+1/2,z+1/2,-x+1/2
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
Sb1 Sb 0 0.1596 0.3363 0.558 0.0
Ni1 Ni 0.25 0.25 0.25 1 0.0
Yb1 Yb 0 0 0 0.58 0.0
Sn2 Sn 0 0.1596 0.3363 0.442 0.0
