The material described by Ca2Au2Pb crystallizes in the tetragonal P4/mbm space group. Ca(1) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Pb(1) atoms. Au(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), one Au(1), and two equivalent Pb(1) atoms. Pb(1) is bonded to eight equivalent Ca(1) and four equivalent Au(1) atoms to form a mixture of face and corner-sharing PbCa8Au4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2PbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   3.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.634
_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
  Ca  Ca0  1  0.674  0.174  0.500  1.0
  Ca  Ca1  1  0.174  0.326  0.500  1.0
  Ca  Ca2  1  0.826  0.674  0.500  1.0
  Ca  Ca3  1  0.326  0.826  0.500  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  Pb  Pb5  1  0.500  0.500  0.000  1.0
  Au  Au6  1  0.124  0.624  0.000  1.0
  Au  Au7  1  0.624  0.876  0.000  1.0
  Au  Au8  1  0.376  0.124  0.000  1.0
  Au  Au9  1  0.876  0.376  0.000  1.0
[/CIF]
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The material described by Ca2Au2Pb crystallizes in the tetragonal P4/mbm space group. Ca(1) is bonded in a 10-coordinate geometry to six equivalent Au(1) and four equivalent Pb(1) atoms. Au(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), one Au(1), and two equivalent Pb(1) atoms. Pb(1) is bonded to eight equivalent Ca(1) and four equivalent Au(1) atoms to form a mixture of face and corner-sharing PbCa8Au4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2PbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   3.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.634
_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
  Ca  Ca0  1  0.674  0.174  0.500  1.0
  Ca  Ca1  1  0.174  0.326  0.500  1.0
  Ca  Ca2  1  0.826  0.674  0.500  1.0
  Ca  Ca3  1  0.326  0.826  0.500  1.0
  Pb  Pb4  1  0.000  0.000  0.000  1.0
  Pb  Pb5  1  0.500  0.500  0.000  1.0
  Au  Au6  1  0.124  0.624  0.000  1.0
  Au  Au7  1  0.624  0.876  0.000  1.0
  Au  Au8  1  0.376  0.124  0.000  1.0
  Au  Au9  1  0.876  0.376  0.000  1.0
[/CIF]
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