The structure described by Nb2Pd3Se8 crystallizes in the orthorhombic Pbam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2), one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent Se(1) and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to two equivalent Nb(1), one Se(2), 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 two equivalent Nb(1) and one Pd(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Nb(1), one Pd(1), and one Pd(2) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Pd(2) atoms. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2Pd3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.600
_cell_length_b   10.961
_cell_length_c   15.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.188
_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
  Nb  Nb0  1  0.500  0.795  0.880  1.0
  Nb  Nb1  1  0.500  0.205  0.120  1.0
  Nb  Nb2  1  0.500  0.295  0.620  1.0
  Nb  Nb3  1  0.500  0.705  0.380  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  Pd  Pd6  1  0.000  0.633  0.780  1.0
  Pd  Pd7  1  0.000  0.367  0.220  1.0
  Pd  Pd8  1  0.000  0.133  0.720  1.0
  Pd  Pd9  1  0.000  0.867  0.280  1.0
  Se  Se10  1  0.000  0.775  0.004  1.0
  Se  Se11  1  0.000  0.225  0.996  1.0
  Se  Se12  1  0.000  0.275  0.496  1.0
  Se  Se13  1  0.000  0.725  0.504  1.0
  Se  Se14  1  0.000  0.964  0.843  1.0
  Se  Se15  1  0.000  0.036  0.157  1.0
  Se  Se16  1  0.000  0.464  0.657  1.0
  Se  Se17  1  0.000  0.536  0.343  1.0
  Se  Se18  1  0.500  0.759  0.715  1.0
  Se  Se19  1  0.500  0.241  0.285  1.0
  Se  Se20  1  0.500  0.259  0.785  1.0
  Se  Se21  1  0.500  0.741  0.215  1.0
  Se  Se22  1  0.500  0.560  0.878  1.0
  Se  Se23  1  0.500  0.440  0.122  1.0
  Se  Se24  1  0.500  0.060  0.622  1.0
  Se  Se25  1  0.500  0.940  0.378  1.0
[/CIF]
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The structure described by Nb2Pd3Se8 crystallizes in the orthorhombic Pbam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Pd(2), one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent Se(1) and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to two equivalent Nb(1), one Se(2), 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 two equivalent Nb(1) and one Pd(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to two equivalent Nb(1), one Pd(1), and one Pd(2) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Pd(2) atoms. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Pd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2Pd3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.600
_cell_length_b   10.961
_cell_length_c   15.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.188
_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
  Nb  Nb0  1  0.500  0.795  0.880  1.0
  Nb  Nb1  1  0.500  0.205  0.120  1.0
  Nb  Nb2  1  0.500  0.295  0.620  1.0
  Nb  Nb3  1  0.500  0.705  0.380  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.000  0.500  0.500  1.0
  Pd  Pd6  1  0.000  0.633  0.780  1.0
  Pd  Pd7  1  0.000  0.367  0.220  1.0
  Pd  Pd8  1  0.000  0.133  0.720  1.0
  Pd  Pd9  1  0.000  0.867  0.280  1.0
  Se  Se10  1  0.000  0.775  0.004  1.0
  Se  Se11  1  0.000  0.225  0.996  1.0
  Se  Se12  1  0.000  0.275  0.496  1.0
  Se  Se13  1  0.000  0.725  0.504  1.0
  Se  Se14  1  0.000  0.964  0.843  1.0
  Se  Se15  1  0.000  0.036  0.157  1.0
  Se  Se16  1  0.000  0.464  0.657  1.0
  Se  Se17  1  0.000  0.536  0.343  1.0
  Se  Se18  1  0.500  0.759  0.715  1.0
  Se  Se19  1  0.500  0.241  0.285  1.0
  Se  Se20  1  0.500  0.259  0.785  1.0
  Se  Se21  1  0.500  0.741  0.215  1.0
  Se  Se22  1  0.500  0.560  0.878  1.0
  Se  Se23  1  0.500  0.440  0.122  1.0
  Se  Se24  1  0.500  0.060  0.622  1.0
  Se  Se25  1  0.500  0.940  0.378  1.0
[/CIF]
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