The compound described by Ba2Pd is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Pd(1) atoms to form a mixture of corner and edge-sharing BaPd4 tetrahedra. In the second Ba site, Ba(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd(1) atoms. Pd(1) is bonded in a 7-coordinate geometry to three equivalent Ba(2) and four equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   8.427
_cell_length_c   10.579
_cell_angle_alpha   89.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.457
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.250  0.861  0.416  1.0
  Ba  Ba1  1  0.250  0.361  0.084  1.0
  Ba  Ba2  1  0.750  0.139  0.584  1.0
  Ba  Ba3  1  0.750  0.639  0.916  1.0
  Ba  Ba4  1  0.250  0.000  0.841  1.0
  Ba  Ba5  1  0.250  0.500  0.659  1.0
  Ba  Ba6  1  0.750  0.000  0.159  1.0
  Ba  Ba7  1  0.750  0.500  0.341  1.0
  Pd  Pd8  1  0.250  0.258  0.411  1.0
  Pd  Pd9  1  0.250  0.759  0.089  1.0
  Pd  Pd10  1  0.750  0.742  0.588  1.0
  Pd  Pd11  1  0.750  0.241  0.912  1.0
[/CIF]
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The compound described by Ba2Pd is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Pd(1) atoms to form a mixture of corner and edge-sharing BaPd4 tetrahedra. In the second Ba site, Ba(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd(1) atoms. Pd(1) is bonded in a 7-coordinate geometry to three equivalent Ba(2) and four equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   8.427
_cell_length_c   10.579
_cell_angle_alpha   89.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.457
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.250  0.861  0.416  1.0
  Ba  Ba1  1  0.250  0.361  0.084  1.0
  Ba  Ba2  1  0.750  0.139  0.584  1.0
  Ba  Ba3  1  0.750  0.639  0.916  1.0
  Ba  Ba4  1  0.250  0.000  0.841  1.0
  Ba  Ba5  1  0.250  0.500  0.659  1.0
  Ba  Ba6  1  0.750  0.000  0.159  1.0
  Ba  Ba7  1  0.750  0.500  0.341  1.0
  Pd  Pd8  1  0.250  0.258  0.411  1.0
  Pd  Pd9  1  0.250  0.759  0.089  1.0
  Pd  Pd10  1  0.750  0.742  0.588  1.0
  Pd  Pd11  1  0.750  0.241  0.912  1.0
[/CIF]
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