The compound described by Ce5AgPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Ag(1) and five equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing CeAg2Pb5 pentagonal bipyramids. Ag(1) is bonded to six equivalent Ce(2) atoms to form distorted face-sharing AgCe6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1) and five equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce5AgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.757
_cell_length_b   9.757
_cell_length_c   6.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   549.279
_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  0.667  0.333  0.500  1.0
  Ce  Ce1  1  0.333  0.667  0.500  1.0
  Ce  Ce2  1  0.333  0.667  0.000  1.0
  Ce  Ce3  1  0.667  0.333  1.000  1.0
  Ce  Ce4  1  0.719  0.720  0.250  1.0
  Ce  Ce5  1  0.280  1.000  0.250  1.0
  Ce  Ce6  1  0.000  0.281  0.250  1.0
  Ce  Ce7  1  0.280  0.281  0.750  1.0
  Ce  Ce8  1  0.719  1.000  0.750  1.0
  Ce  Ce9  1  0.000  0.720  0.750  1.0
  Ag  Ag10  1  1.000  1.000  0.500  1.0
  Ag  Ag11  1  1.000  1.000  0.000  1.0
  Pb  Pb12  1  0.372  0.372  0.250  1.0
  Pb  Pb13  1  0.628  1.000  0.250  1.0
  Pb  Pb14  1  0.000  0.628  0.250  1.0
  Pb  Pb15  1  0.628  0.628  0.750  1.0
  Pb  Pb16  1  0.372  1.000  0.750  1.0
  Pb  Pb17  1  0.000  0.372  0.750  1.0
[/CIF]
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The compound described by Ce5AgPb3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Ag(1) and five equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing CeAg2Pb5 pentagonal bipyramids. Ag(1) is bonded to six equivalent Ce(2) atoms to form distorted face-sharing AgCe6 octahedra. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1) and five equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce5AgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.757
_cell_length_b   9.757
_cell_length_c   6.663
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   549.279
_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  0.667  0.333  0.500  1.0
  Ce  Ce1  1  0.333  0.667  0.500  1.0
  Ce  Ce2  1  0.333  0.667  0.000  1.0
  Ce  Ce3  1  0.667  0.333  1.000  1.0
  Ce  Ce4  1  0.719  0.720  0.250  1.0
  Ce  Ce5  1  0.280  1.000  0.250  1.0
  Ce  Ce6  1  0.000  0.281  0.250  1.0
  Ce  Ce7  1  0.280  0.281  0.750  1.0
  Ce  Ce8  1  0.719  1.000  0.750  1.0
  Ce  Ce9  1  0.000  0.720  0.750  1.0
  Ag  Ag10  1  1.000  1.000  0.500  1.0
  Ag  Ag11  1  1.000  1.000  0.000  1.0
  Pb  Pb12  1  0.372  0.372  0.250  1.0
  Pb  Pb13  1  0.628  1.000  0.250  1.0
  Pb  Pb14  1  0.000  0.628  0.250  1.0
  Pb  Pb15  1  0.628  0.628  0.750  1.0
  Pb  Pb16  1  0.372  1.000  0.750  1.0
  Pb  Pb17  1  0.000  0.372  0.750  1.0
[/CIF]
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