The material described by PdSnTe is Spinel-like structured and crystallizes in the orthorhombic Pbca space group. Pd(1) is bonded to three equivalent Sn(1) and three equivalent Te(1) atoms to form PdSn3Te3 octahedra that share corners with ten equivalent Pd(1)Sn3Te3 octahedra, corners with three equivalent Sn(1)TePd3 tetrahedra, corners with three equivalent Te(1)SnPd3 tetrahedra, and  an edgeedge with one Pd(1)Sn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. Sn(1) is bonded to three equivalent Pd(1) and one Te(1) atom to form distorted SnTePd3 tetrahedra that share corners with three equivalent Pd(1)Sn3Te3 octahedra, corners with four equivalent Sn(1)TePd3 tetrahedra, corners with nine equivalent Te(1)SnPd3 tetrahedra, and  an edgeedge with one Sn(1)TePd3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-85°. Te(1) is bonded to three equivalent Pd(1) and one Sn(1) atom to form TeSnPd3 tetrahedra that share corners with three equivalent Pd(1)Sn3Te3 octahedra, corners with six equivalent Te(1)SnPd3 tetrahedra, and corners with nine equivalent Sn(1)TePd3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.720
_cell_length_c   13.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.097
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.359  0.182  0.565  1.0
  Sn  Sn1  1  0.641  0.818  0.435  1.0
  Sn  Sn2  1  0.141  0.818  0.065  1.0
  Sn  Sn3  1  0.141  0.682  0.565  1.0
  Sn  Sn4  1  0.359  0.318  0.065  1.0
  Sn  Sn5  1  0.859  0.318  0.435  1.0
  Sn  Sn6  1  0.859  0.182  0.935  1.0
  Sn  Sn7  1  0.641  0.682  0.935  1.0
  Te  Te8  1  0.628  0.052  0.178  1.0
  Te  Te9  1  0.128  0.448  0.822  1.0
  Te  Te10  1  0.872  0.552  0.178  1.0
  Te  Te11  1  0.372  0.948  0.822  1.0
  Te  Te12  1  0.128  0.052  0.322  1.0
  Te  Te13  1  0.872  0.948  0.678  1.0
  Te  Te14  1  0.628  0.448  0.678  1.0
  Te  Te15  1  0.372  0.552  0.322  1.0
  Pd  Pd16  1  0.997  0.678  0.372  1.0
  Pd  Pd17  1  0.497  0.678  0.128  1.0
  Pd  Pd18  1  0.997  0.822  0.872  1.0
  Pd  Pd19  1  0.003  0.322  0.628  1.0
  Pd  Pd20  1  0.503  0.322  0.872  1.0
  Pd  Pd21  1  0.497  0.822  0.628  1.0
  Pd  Pd22  1  0.503  0.178  0.372  1.0
  Pd  Pd23  1  0.003  0.178  0.128  1.0
[/CIF]
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The material described by PdSnTe is Spinel-like structured and crystallizes in the orthorhombic Pbca space group. Pd(1) is bonded to three equivalent Sn(1) and three equivalent Te(1) atoms to form PdSn3Te3 octahedra that share corners with ten equivalent Pd(1)Sn3Te3 octahedra, corners with three equivalent Sn(1)TePd3 tetrahedra, corners with three equivalent Te(1)SnPd3 tetrahedra, and  an edgeedge with one Pd(1)Sn3Te3 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. Sn(1) is bonded to three equivalent Pd(1) and one Te(1) atom to form distorted SnTePd3 tetrahedra that share corners with three equivalent Pd(1)Sn3Te3 octahedra, corners with four equivalent Sn(1)TePd3 tetrahedra, corners with nine equivalent Te(1)SnPd3 tetrahedra, and  an edgeedge with one Sn(1)TePd3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-85°. Te(1) is bonded to three equivalent Pd(1) and one Sn(1) atom to form TeSnPd3 tetrahedra that share corners with three equivalent Pd(1)Sn3Te3 octahedra, corners with six equivalent Te(1)SnPd3 tetrahedra, and corners with nine equivalent Sn(1)TePd3 tetrahedra. The corner-sharing octahedral tilt angles range from 75-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnTePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.685
_cell_length_b   6.720
_cell_length_c   13.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.097
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.359  0.182  0.565  1.0
  Sn  Sn1  1  0.641  0.818  0.435  1.0
  Sn  Sn2  1  0.141  0.818  0.065  1.0
  Sn  Sn3  1  0.141  0.682  0.565  1.0
  Sn  Sn4  1  0.359  0.318  0.065  1.0
  Sn  Sn5  1  0.859  0.318  0.435  1.0
  Sn  Sn6  1  0.859  0.182  0.935  1.0
  Sn  Sn7  1  0.641  0.682  0.935  1.0
  Te  Te8  1  0.628  0.052  0.178  1.0
  Te  Te9  1  0.128  0.448  0.822  1.0
  Te  Te10  1  0.872  0.552  0.178  1.0
  Te  Te11  1  0.372  0.948  0.822  1.0
  Te  Te12  1  0.128  0.052  0.322  1.0
  Te  Te13  1  0.872  0.948  0.678  1.0
  Te  Te14  1  0.628  0.448  0.678  1.0
  Te  Te15  1  0.372  0.552  0.322  1.0
  Pd  Pd16  1  0.997  0.678  0.372  1.0
  Pd  Pd17  1  0.497  0.678  0.128  1.0
  Pd  Pd18  1  0.997  0.822  0.872  1.0
  Pd  Pd19  1  0.003  0.322  0.628  1.0
  Pd  Pd20  1  0.503  0.322  0.872  1.0
  Pd  Pd21  1  0.497  0.822  0.628  1.0
  Pd  Pd22  1  0.503  0.178  0.372  1.0
  Pd  Pd23  1  0.003  0.178  0.128  1.0
[/CIF]
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