The crystal structure described by Ca3Pd2 crystallizes in the trigonal R-3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in an octahedral geometry to six equivalent Pd(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to five equivalent Pd(1) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), five equivalent Ca(3), and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.643
_cell_length_b   7.643
_cell_length_c   7.643
_cell_angle_alpha   71.584
_cell_angle_beta   71.584
_cell_angle_gamma   71.584
_symmetry_Int_Tables_number   1
_cell_volume   390.204
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.796  0.796  0.796  1.0
  Ca  Ca2  1  0.204  0.204  0.204  1.0
  Ca  Ca3  1  0.605  0.332  0.843  1.0
  Ca  Ca4  1  0.332  0.843  0.605  1.0
  Ca  Ca5  1  0.843  0.605  0.332  1.0
  Ca  Ca6  1  0.395  0.668  0.157  1.0
  Ca  Ca7  1  0.668  0.157  0.395  1.0
  Ca  Ca8  1  0.157  0.395  0.668  1.0
  Pd  Pd9  1  0.957  0.154  0.587  1.0
  Pd  Pd10  1  0.154  0.587  0.957  1.0
  Pd  Pd11  1  0.587  0.957  0.154  1.0
  Pd  Pd12  1  0.043  0.846  0.413  1.0
  Pd  Pd13  1  0.846  0.413  0.043  1.0
  Pd  Pd14  1  0.413  0.043  0.846  1.0
[/CIF]
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The crystal structure described by Ca3Pd2 crystallizes in the trigonal R-3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in an octahedral geometry to six equivalent Pd(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. In the third Ca site, Ca(3) is bonded in a 5-coordinate geometry to five equivalent Pd(1) atoms. Pd(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), five equivalent Ca(3), and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.643
_cell_length_b   7.643
_cell_length_c   7.643
_cell_angle_alpha   71.584
_cell_angle_beta   71.584
_cell_angle_gamma   71.584
_symmetry_Int_Tables_number   1
_cell_volume   390.204
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.796  0.796  0.796  1.0
  Ca  Ca2  1  0.204  0.204  0.204  1.0
  Ca  Ca3  1  0.605  0.332  0.843  1.0
  Ca  Ca4  1  0.332  0.843  0.605  1.0
  Ca  Ca5  1  0.843  0.605  0.332  1.0
  Ca  Ca6  1  0.395  0.668  0.157  1.0
  Ca  Ca7  1  0.668  0.157  0.395  1.0
  Ca  Ca8  1  0.157  0.395  0.668  1.0
  Pd  Pd9  1  0.957  0.154  0.587  1.0
  Pd  Pd10  1  0.154  0.587  0.957  1.0
  Pd  Pd11  1  0.587  0.957  0.154  1.0
  Pd  Pd12  1  0.043  0.846  0.413  1.0
  Pd  Pd13  1  0.846  0.413  0.043  1.0
  Pd  Pd14  1  0.413  0.043  0.846  1.0
[/CIF]
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