The material structure described by Pt3Nb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Nb(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form NbPt12 cuboctahedra that share corners with two equivalent Nb(1)Pt12 cuboctahedra, corners with eight equivalent Pt(1)Nb4Pt8 cuboctahedra, edges with six equivalent Nb(1)Pt12 cuboctahedra, edges with twelve equivalent Pt(1)Nb4Pt8 cuboctahedra, faces with six equivalent Nb(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)Nb4Pt8 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Nb(1), four equivalent Pt(1), and four equivalent Pt(2) atoms to form distorted PtNb4Pt8 cuboctahedra that share corners with four equivalent Nb(1)Pt12 cuboctahedra, corners with ten equivalent Pt(1)Nb4Pt8 cuboctahedra, edges with six equivalent Nb(1)Pt12 cuboctahedra, edges with six equivalent Pt(1)Nb4Pt8 cuboctahedra, faces with four equivalent Nb(1)Pt12 cuboctahedra, and faces with twelve equivalent Pt(1)Nb4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a distorted see-saw-like geometry to four equivalent Nb(1) and eight equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.603
_cell_length_b   4.903
_cell_length_c   5.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.036
_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  0.750  0.341  0.750  1.0
  Nb  Nb1  1  0.250  0.659  0.250  1.0
  Pt  Pt2  1  0.750  0.835  0.000  1.0
  Pt  Pt3  1  0.750  0.835  0.500  1.0
  Pt  Pt4  1  0.250  0.165  1.000  1.0
  Pt  Pt5  1  0.250  0.165  0.500  1.0
  Pt  Pt6  1  0.250  0.660  0.750  1.0
  Pt  Pt7  1  0.750  0.340  0.250  1.0
[/CIF]
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The material structure described by Pt3Nb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Nb(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form NbPt12 cuboctahedra that share corners with two equivalent Nb(1)Pt12 cuboctahedra, corners with eight equivalent Pt(1)Nb4Pt8 cuboctahedra, edges with six equivalent Nb(1)Pt12 cuboctahedra, edges with twelve equivalent Pt(1)Nb4Pt8 cuboctahedra, faces with six equivalent Nb(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)Nb4Pt8 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Nb(1), four equivalent Pt(1), and four equivalent Pt(2) atoms to form distorted PtNb4Pt8 cuboctahedra that share corners with four equivalent Nb(1)Pt12 cuboctahedra, corners with ten equivalent Pt(1)Nb4Pt8 cuboctahedra, edges with six equivalent Nb(1)Pt12 cuboctahedra, edges with six equivalent Pt(1)Nb4Pt8 cuboctahedra, faces with four equivalent Nb(1)Pt12 cuboctahedra, and faces with twelve equivalent Pt(1)Nb4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a distorted see-saw-like geometry to four equivalent Nb(1) and eight equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.603
_cell_length_b   4.903
_cell_length_c   5.585
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.036
_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  0.750  0.341  0.750  1.0
  Nb  Nb1  1  0.250  0.659  0.250  1.0
  Pt  Pt2  1  0.750  0.835  0.000  1.0
  Pt  Pt3  1  0.750  0.835  0.500  1.0
  Pt  Pt4  1  0.250  0.165  1.000  1.0
  Pt  Pt5  1  0.250  0.165  0.500  1.0
  Pt  Pt6  1  0.250  0.660  0.750  1.0
  Pt  Pt7  1  0.750  0.340  0.250  1.0
[/CIF]
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