The material described by Ta2Pd3Se8 crystallizes in the orthorhombic Pbam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), one Se(1), one Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to two equivalent Ta(1), one Se(3), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to two equivalent Se(3) and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Ta(1) and two equivalent Pd(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Ta(1) and two equivalent Pd(1) atoms. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ta(1), one Pd(1), and one Pd(2) atom. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Pd(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Pd3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.583
_cell_length_b   11.126
_cell_length_c   15.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.877
_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
  Ta  Ta0  1  0.500  0.696  0.375  1.0
  Ta  Ta1  1  0.500  0.304  0.625  1.0
  Ta  Ta2  1  0.500  0.196  0.125  1.0
  Ta  Ta3  1  0.500  0.804  0.875  1.0
  Pd  Pd4  1  0.000  0.852  0.275  1.0
  Pd  Pd5  1  0.000  0.148  0.725  1.0
  Pd  Pd6  1  0.000  0.352  0.225  1.0
  Pd  Pd7  1  0.000  0.648  0.775  1.0
  Pd  Pd8  1  0.000  0.500  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.500  0.926  0.372  1.0
  Se  Se11  1  0.500  0.074  0.628  1.0
  Se  Se12  1  0.500  0.426  0.128  1.0
  Se  Se13  1  0.500  0.574  0.872  1.0
  Se  Se14  1  0.500  0.726  0.211  1.0
  Se  Se15  1  0.500  0.274  0.789  1.0
  Se  Se16  1  0.500  0.226  0.289  1.0
  Se  Se17  1  0.500  0.774  0.711  1.0
  Se  Se18  1  0.000  0.528  0.343  1.0
  Se  Se19  1  0.000  0.472  0.657  1.0
  Se  Se20  1  0.000  0.779  0.997  1.0
  Se  Se21  1  0.000  0.221  0.003  1.0
  Se  Se22  1  0.000  0.279  0.503  1.0
  Se  Se23  1  0.000  0.721  0.497  1.0
  Se  Se24  1  0.000  0.972  0.843  1.0
  Se  Se25  1  0.000  0.028  0.157  1.0
[/CIF]
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The material described by Ta2Pd3Se8 crystallizes in the orthorhombic Pbam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), one Se(1), one Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to two equivalent Ta(1), one Se(3), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to two equivalent Se(3) and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Ta(1) and two equivalent Pd(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Ta(1) and two equivalent Pd(1) atoms. In the third Se site, Se(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ta(1), one Pd(1), and one Pd(2) atom. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Pd(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Pd3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.583
_cell_length_b   11.126
_cell_length_c   15.475
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.877
_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
  Ta  Ta0  1  0.500  0.696  0.375  1.0
  Ta  Ta1  1  0.500  0.304  0.625  1.0
  Ta  Ta2  1  0.500  0.196  0.125  1.0
  Ta  Ta3  1  0.500  0.804  0.875  1.0
  Pd  Pd4  1  0.000  0.852  0.275  1.0
  Pd  Pd5  1  0.000  0.148  0.725  1.0
  Pd  Pd6  1  0.000  0.352  0.225  1.0
  Pd  Pd7  1  0.000  0.648  0.775  1.0
  Pd  Pd8  1  0.000  0.500  0.500  1.0
  Pd  Pd9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.500  0.926  0.372  1.0
  Se  Se11  1  0.500  0.074  0.628  1.0
  Se  Se12  1  0.500  0.426  0.128  1.0
  Se  Se13  1  0.500  0.574  0.872  1.0
  Se  Se14  1  0.500  0.726  0.211  1.0
  Se  Se15  1  0.500  0.274  0.789  1.0
  Se  Se16  1  0.500  0.226  0.289  1.0
  Se  Se17  1  0.500  0.774  0.711  1.0
  Se  Se18  1  0.000  0.528  0.343  1.0
  Se  Se19  1  0.000  0.472  0.657  1.0
  Se  Se20  1  0.000  0.779  0.997  1.0
  Se  Se21  1  0.000  0.221  0.003  1.0
  Se  Se22  1  0.000  0.279  0.503  1.0
  Se  Se23  1  0.000  0.721  0.497  1.0
  Se  Se24  1  0.000  0.972  0.843  1.0
  Se  Se25  1  0.000  0.028  0.157  1.0
[/CIF]
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