The material described by CePt5Sb crystallizes in the trigonal R-3 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form distorted edge-sharing CePt12 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 14-coordinate geometry to six equivalent Pt(1), six equivalent Pt(3), and two equivalent Sb(1) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 1-coordinate geometry to one Ce(1), one Ce(2), and one Sb(1) atom. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Sb(1) atom. In the third Pt site, Pt(3) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms. Sb(1) is bonded in a 4-coordinate geometry to one Ce(2), one Pt(2), and three equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSbPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.933
_cell_length_b   10.933
_cell_length_c   10.933
_cell_angle_alpha   28.590
_cell_angle_beta   28.590
_cell_angle_gamma   28.590
_symmetry_Int_Tables_number   1
_cell_volume   264.550
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.895  0.895  0.895  1.0
  Sb  Sb3  1  0.105  0.105  0.105  1.0
  Pt  Pt4  1  0.076  0.621  0.523  1.0
  Pt  Pt5  1  0.523  0.076  0.621  1.0
  Pt  Pt6  1  0.621  0.523  0.076  1.0
  Pt  Pt7  1  0.924  0.379  0.477  1.0
  Pt  Pt8  1  0.477  0.924  0.379  1.0
  Pt  Pt9  1  0.379  0.477  0.924  1.0
  Pt  Pt10  1  0.814  0.814  0.814  1.0
  Pt  Pt11  1  0.186  0.186  0.186  1.0
  Pt  Pt12  1  0.666  0.666  0.666  1.0
  Pt  Pt13  1  0.334  0.334  0.334  1.0
[/CIF]
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The material described by CePt5Sb crystallizes in the trigonal R-3 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form distorted edge-sharing CePt12 cuboctahedra. In the second Ce site, Ce(2) is bonded in a 14-coordinate geometry to six equivalent Pt(1), six equivalent Pt(3), and two equivalent Sb(1) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 1-coordinate geometry to one Ce(1), one Ce(2), and one Sb(1) atom. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one Sb(1) atom. In the third Pt site, Pt(3) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms. Sb(1) is bonded in a 4-coordinate geometry to one Ce(2), one Pt(2), and three equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeSbPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.933
_cell_length_b   10.933
_cell_length_c   10.933
_cell_angle_alpha   28.590
_cell_angle_beta   28.590
_cell_angle_gamma   28.590
_symmetry_Int_Tables_number   1
_cell_volume   264.550
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.895  0.895  0.895  1.0
  Sb  Sb3  1  0.105  0.105  0.105  1.0
  Pt  Pt4  1  0.076  0.621  0.523  1.0
  Pt  Pt5  1  0.523  0.076  0.621  1.0
  Pt  Pt6  1  0.621  0.523  0.076  1.0
  Pt  Pt7  1  0.924  0.379  0.477  1.0
  Pt  Pt8  1  0.477  0.924  0.379  1.0
  Pt  Pt9  1  0.379  0.477  0.924  1.0
  Pt  Pt10  1  0.814  0.814  0.814  1.0
  Pt  Pt11  1  0.186  0.186  0.186  1.0
  Pt  Pt12  1  0.666  0.666  0.666  1.0
  Pt  Pt13  1  0.334  0.334  0.334  1.0
[/CIF]
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