The material structure described by BiPd2O4 crystallizes in the triclinic P-1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Pd site, Pd(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Pd site, Pd(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Pd site, Pd(4) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), one Pd(3), one Pd(4), and one Bi(1) atom to form distorted OBiPd3 tetrahedra that share corners with two equivalent O(2)Bi2Pd2 tetrahedra, corners with two equivalent O(4)Bi2Pd2 tetrahedra, corners with three equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra, and  an edgeedge with one O(4)Bi2Pd2 tetrahedra. In the second O site, O(2) is bonded to one Pd(1), one Pd(3), and two equivalent Bi(1) atoms to form distorted OBi2Pd2 tetrahedra that share corners with two equivalent O(2)Bi2Pd2 tetrahedra, corners with two equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra, corners with four equivalent O(4)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. In the third O site, O(3) is bonded to one Pd(2), one Pd(4), and two equivalent Bi(1) atoms to form OBi2Pd2 tetrahedra that share corners with two equivalent O(3)Bi2Pd2 tetrahedra, corners with four equivalent O(2)Bi2Pd2 tetrahedra, corners with four equivalent O(4)Bi2Pd2 tetrahedra, corners with four equivalent O(1)BiPd3 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. In the fourth O site, O(4) is bonded to one Pd(1), one Pd(2), and two equivalent Bi(1) atoms to form distorted OBi2Pd2 tetrahedra that share corners with two equivalent O(4)Bi2Pd2 tetrahedra, corners with two equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(2)Bi2Pd2 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. is represented by the CIF card [CIF]
data_Bi(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   6.092
_cell_length_c   6.413
_cell_angle_alpha   114.531
_cell_angle_beta   95.890
_cell_angle_gamma   111.679
_symmetry_Int_Tables_number   1
_cell_volume   179.434
_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
  Bi  Bi0  1  0.861  0.242  0.645  1.0
  Bi  Bi1  1  0.139  0.758  0.355  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.644  0.395  0.227  1.0
  O  O7  1  0.356  0.605  0.773  1.0
  O  O8  1  0.839  0.861  0.644  1.0
  O  O9  1  0.161  0.139  0.356  1.0
  O  O10  1  0.520  0.871  0.246  1.0
  O  O11  1  0.480  0.129  0.754  1.0
  O  O12  1  0.877  0.646  0.990  1.0
  O  O13  1  0.123  0.354  0.010  1.0
[/CIF]
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The material structure described by BiPd2O4 crystallizes in the triclinic P-1 space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Pd site, Pd(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Pd site, Pd(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Pd site, Pd(4) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pd(2), one Pd(3), one Pd(4), and one Bi(1) atom to form distorted OBiPd3 tetrahedra that share corners with two equivalent O(2)Bi2Pd2 tetrahedra, corners with two equivalent O(4)Bi2Pd2 tetrahedra, corners with three equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra, and  an edgeedge with one O(4)Bi2Pd2 tetrahedra. In the second O site, O(2) is bonded to one Pd(1), one Pd(3), and two equivalent Bi(1) atoms to form distorted OBi2Pd2 tetrahedra that share corners with two equivalent O(2)Bi2Pd2 tetrahedra, corners with two equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra, corners with four equivalent O(4)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. In the third O site, O(3) is bonded to one Pd(2), one Pd(4), and two equivalent Bi(1) atoms to form OBi2Pd2 tetrahedra that share corners with two equivalent O(3)Bi2Pd2 tetrahedra, corners with four equivalent O(2)Bi2Pd2 tetrahedra, corners with four equivalent O(4)Bi2Pd2 tetrahedra, corners with four equivalent O(1)BiPd3 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. In the fourth O site, O(4) is bonded to one Pd(1), one Pd(2), and two equivalent Bi(1) atoms to form distorted OBi2Pd2 tetrahedra that share corners with two equivalent O(4)Bi2Pd2 tetrahedra, corners with two equivalent O(1)BiPd3 tetrahedra, corners with four equivalent O(2)Bi2Pd2 tetrahedra, corners with four equivalent O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(2)Bi2Pd2 tetrahedra,  an edgeedge with one O(3)Bi2Pd2 tetrahedra,  an edgeedge with one O(4)Bi2Pd2 tetrahedra, and  an edgeedge with one O(1)BiPd3 tetrahedra. is represented by the CIF card [CIF]
data_Bi(PdO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   6.092
_cell_length_c   6.413
_cell_angle_alpha   114.531
_cell_angle_beta   95.890
_cell_angle_gamma   111.679
_symmetry_Int_Tables_number   1
_cell_volume   179.434
_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
  Bi  Bi0  1  0.861  0.242  0.645  1.0
  Bi  Bi1  1  0.139  0.758  0.355  1.0
  Pd  Pd2  1  0.000  0.000  0.000  1.0
  Pd  Pd3  1  0.500  0.500  0.000  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.644  0.395  0.227  1.0
  O  O7  1  0.356  0.605  0.773  1.0
  O  O8  1  0.839  0.861  0.644  1.0
  O  O9  1  0.161  0.139  0.356  1.0
  O  O10  1  0.520  0.871  0.246  1.0
  O  O11  1  0.480  0.129  0.754  1.0
  O  O12  1  0.877  0.646  0.990  1.0
  O  O13  1  0.123  0.354  0.010  1.0
[/CIF]
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