The compound described by Pd4Ni2As3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to two equivalent Pd(3), four equivalent Pd(2), two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Pd(3), two equivalent Pd(1), two equivalent Pd(2), and four equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni2As3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   6.331
_cell_length_c   6.663
_cell_angle_alpha   121.759
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.474
_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
  Ni  Ni0  1  0.000  0.255  0.995  1.0
  Ni  Ni1  1  0.000  0.745  0.740  1.0
  As  As2  1  0.500  1.000  0.982  1.0
  As  As3  1  0.000  0.343  0.684  1.0
  As  As4  1  0.000  0.657  0.342  1.0
  Pd  Pd5  1  0.000  1.000  0.256  1.0
  Pd  Pd6  1  0.500  0.593  0.995  1.0
  Pd  Pd7  1  0.500  0.407  0.402  1.0
  Pd  Pd8  1  0.500  1.000  0.603  1.0
[/CIF]
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The compound described by Pd4Ni2As3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to two equivalent Pd(3), four equivalent Pd(2), two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Pd(3), two equivalent Pd(1), two equivalent Pd(2), and four equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni2As3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.721
_cell_length_b   6.331
_cell_length_c   6.663
_cell_angle_alpha   121.759
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.474
_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
  Ni  Ni0  1  0.000  0.255  0.995  1.0
  Ni  Ni1  1  0.000  0.745  0.740  1.0
  As  As2  1  0.500  1.000  0.982  1.0
  As  As3  1  0.000  0.343  0.684  1.0
  As  As4  1  0.000  0.657  0.342  1.0
  Pd  Pd5  1  0.000  1.000  0.256  1.0
  Pd  Pd6  1  0.500  0.593  0.995  1.0
  Pd  Pd7  1  0.500  0.407  0.402  1.0
  Pd  Pd8  1  0.500  1.000  0.603  1.0
[/CIF]
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