The material structure described by HfPt4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Pt(2), four equivalent Pt(4), and four equivalent Pt(5) atoms to form HfPt12 cuboctahedra that share corners with four equivalent Hf(1)Pt12 cuboctahedra, corners with four equivalent Hf(2)Pt12 cuboctahedra, corners with four equivalent Pt(7)Pt12 cuboctahedra, edges with four equivalent Pt(1)Pt12 cuboctahedra,  a faceface with one Hf(2)Pt12 cuboctahedra,  a faceface with one Pt(7)Pt12 cuboctahedra, and faces with four equivalent Hf(1)Pt12 cuboctahedra. In the second Hf site, Hf(2) is bonded to four equivalent Pt(3), four equivalent Pt(5), and four equivalent Pt(6) atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. There are seven inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(7) and eight equivalent Pt(4) atoms to form PtPt12 cuboctahedra that share corners with four equivalent Pt(1)Pt12 cuboctahedra, edges with eight equivalent Hf(1)Pt12 cuboctahedra, faces with four equivalent Pt(1)Pt12 cuboctahedra, and faces with four equivalent Pt(7)Pt12 cuboctahedra. In the second Pt site, Pt(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf(1) atoms. In the third Pt site, Pt(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf(2) atoms. In the fourth Pt site, Pt(4) is bonded in a distorted L-shaped geometry to two equivalent Hf(1), two equivalent Pt(1), and two equivalent Pt(7) atoms. In the fifth Pt site, Pt(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the sixth Pt site, Pt(6) is bonded in a distorted square co-planar geometry to four equivalent Hf(2) atoms. In the seventh Pt site, Pt(7) is bonded to four equivalent Pt(1) and eight equivalent Pt(4) atoms to form PtPt12 cuboctahedra that share corners with four equivalent Pt(7)Pt12 cuboctahedra, corners with eight equivalent Hf(1)Pt12 cuboctahedra, faces with two equivalent Hf(1)Pt12 cuboctahedra, faces with four equivalent Pt(1)Pt12 cuboctahedra, and faces with four equivalent Pt(7)Pt12 cuboctahedra. is represented by the CIF card [CIF]
data_HfPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.985
_cell_length_c   20.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.269
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.000  0.000  0.196  1.0
  Hf  Hf1  1  0.000  0.000  0.399  1.0
  Hf  Hf2  1  0.000  0.000  0.601  1.0
  Hf  Hf3  1  0.000  0.000  0.804  1.0
  Pt  Pt4  1  0.500  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.200  1.0
  Pt  Pt6  1  0.500  0.500  0.400  1.0
  Pt  Pt7  1  0.500  0.500  0.600  1.0
  Pt  Pt8  1  0.500  0.500  0.800  1.0
  Pt  Pt9  1  0.500  0.000  0.101  1.0
  Pt  Pt10  1  0.500  0.000  0.300  1.0
  Pt  Pt11  1  0.500  0.000  0.500  1.0
  Pt  Pt12  1  0.500  0.000  0.700  1.0
  Pt  Pt13  1  0.500  0.000  0.899  1.0
  Pt  Pt14  1  0.000  0.500  0.101  1.0
  Pt  Pt15  1  0.000  0.500  0.300  1.0
  Pt  Pt16  1  0.000  0.500  0.500  1.0
  Pt  Pt17  1  0.000  0.500  0.700  1.0
  Pt  Pt18  1  0.000  0.500  0.899  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by HfPt4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Pt(2), four equivalent Pt(4), and four equivalent Pt(5) atoms to form HfPt12 cuboctahedra that share corners with four equivalent Hf(1)Pt12 cuboctahedra, corners with four equivalent Hf(2)Pt12 cuboctahedra, corners with four equivalent Pt(7)Pt12 cuboctahedra, edges with four equivalent Pt(1)Pt12 cuboctahedra,  a faceface with one Hf(2)Pt12 cuboctahedra,  a faceface with one Pt(7)Pt12 cuboctahedra, and faces with four equivalent Hf(1)Pt12 cuboctahedra. In the second Hf site, Hf(2) is bonded to four equivalent Pt(3), four equivalent Pt(5), and four equivalent Pt(6) atoms to form a mixture of face and corner-sharing HfPt12 cuboctahedra. There are seven inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(7) and eight equivalent Pt(4) atoms to form PtPt12 cuboctahedra that share corners with four equivalent Pt(1)Pt12 cuboctahedra, edges with eight equivalent Hf(1)Pt12 cuboctahedra, faces with four equivalent Pt(1)Pt12 cuboctahedra, and faces with four equivalent Pt(7)Pt12 cuboctahedra. In the second Pt site, Pt(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf(1) atoms. In the third Pt site, Pt(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf(2) atoms. In the fourth Pt site, Pt(4) is bonded in a distorted L-shaped geometry to two equivalent Hf(1), two equivalent Pt(1), and two equivalent Pt(7) atoms. In the fifth Pt site, Pt(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the sixth Pt site, Pt(6) is bonded in a distorted square co-planar geometry to four equivalent Hf(2) atoms. In the seventh Pt site, Pt(7) is bonded to four equivalent Pt(1) and eight equivalent Pt(4) atoms to form PtPt12 cuboctahedra that share corners with four equivalent Pt(7)Pt12 cuboctahedra, corners with eight equivalent Hf(1)Pt12 cuboctahedra, faces with two equivalent Hf(1)Pt12 cuboctahedra, faces with four equivalent Pt(1)Pt12 cuboctahedra, and faces with four equivalent Pt(7)Pt12 cuboctahedra. is represented by the CIF card [CIF]
data_HfPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.985
_cell_length_c   20.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.269
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.000  0.000  0.196  1.0
  Hf  Hf1  1  0.000  0.000  0.399  1.0
  Hf  Hf2  1  0.000  0.000  0.601  1.0
  Hf  Hf3  1  0.000  0.000  0.804  1.0
  Pt  Pt4  1  0.500  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.200  1.0
  Pt  Pt6  1  0.500  0.500  0.400  1.0
  Pt  Pt7  1  0.500  0.500  0.600  1.0
  Pt  Pt8  1  0.500  0.500  0.800  1.0
  Pt  Pt9  1  0.500  0.000  0.101  1.0
  Pt  Pt10  1  0.500  0.000  0.300  1.0
  Pt  Pt11  1  0.500  0.000  0.500  1.0
  Pt  Pt12  1  0.500  0.000  0.700  1.0
  Pt  Pt13  1  0.500  0.000  0.899  1.0
  Pt  Pt14  1  0.000  0.500  0.101  1.0
  Pt  Pt15  1  0.000  0.500  0.300  1.0
  Pt  Pt16  1  0.000  0.500  0.500  1.0
  Pt  Pt17  1  0.000  0.500  0.700  1.0
  Pt  Pt18  1  0.000  0.500  0.899  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
[/CIF]
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