The compound described by Ca2Pd3Ge crystallizes in the trigonal R-3m space group. Ca(1) is bonded in a 12-coordinate geometry to nine equivalent Pd(1) and three equivalent Ge(1) atoms. Pd(1) is bonded to six equivalent Ca(1), four equivalent Pd(1), and two equivalent Ge(1) atoms to form distorted PdCa6Ge2Pd4 cuboctahedra that share corners with four equivalent Ge(1)Ca6Pd6 cuboctahedra, corners with fourteen equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, edges with six equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, faces with six equivalent Ge(1)Ca6Pd6 cuboctahedra, and faces with twelve equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra. Ge(1) is bonded to six equivalent Ca(1) and six equivalent Pd(1) atoms to form GeCa6Pd6 cuboctahedra that share corners with six equivalent Ge(1)Ca6Pd6 cuboctahedra, corners with twelve equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, edges with six equivalent Ge(1)Ca6Pd6 cuboctahedra, and faces with eighteen equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_Ca2GePd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.245
_cell_length_c   5.245
_cell_angle_alpha   64.676
_cell_angle_beta   64.676
_cell_angle_gamma   64.676
_symmetry_Int_Tables_number   1
_cell_volume   112.484
_cell_formula_units_Z   1
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  0.872  0.872  0.872  1.0
  Ca  Ca1  1  0.128  0.128  0.128  1.0
  Ge  Ge2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Ca2Pd3Ge crystallizes in the trigonal R-3m space group. Ca(1) is bonded in a 12-coordinate geometry to nine equivalent Pd(1) and three equivalent Ge(1) atoms. Pd(1) is bonded to six equivalent Ca(1), four equivalent Pd(1), and two equivalent Ge(1) atoms to form distorted PdCa6Ge2Pd4 cuboctahedra that share corners with four equivalent Ge(1)Ca6Pd6 cuboctahedra, corners with fourteen equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, edges with six equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, faces with six equivalent Ge(1)Ca6Pd6 cuboctahedra, and faces with twelve equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra. Ge(1) is bonded to six equivalent Ca(1) and six equivalent Pd(1) atoms to form GeCa6Pd6 cuboctahedra that share corners with six equivalent Ge(1)Ca6Pd6 cuboctahedra, corners with twelve equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra, edges with six equivalent Ge(1)Ca6Pd6 cuboctahedra, and faces with eighteen equivalent Pd(1)Ca6Ge2Pd4 cuboctahedra. is represented by the CIF file [CIF]
data_Ca2GePd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.245
_cell_length_c   5.245
_cell_angle_alpha   64.676
_cell_angle_beta   64.676
_cell_angle_gamma   64.676
_symmetry_Int_Tables_number   1
_cell_volume   112.484
_cell_formula_units_Z   1
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  0.872  0.872  0.872  1.0
  Ca  Ca1  1  0.128  0.128  0.128  1.0
  Ge  Ge2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.000  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.500  1.0
[/CIF]
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