The material structure described by NpPt3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form a mixture of face and corner-sharing NpPt12 cuboctahedra. In the second Np site, Np(2) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form a mixture of face and corner-sharing NpPt12 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a distorted see-saw-like geometry to two equivalent Np(1) and two equivalent Np(2) atoms. In the second Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent Np(1) and two equivalent Np(2) atoms. is represented by the CIF card [CIF]
data_NpPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   9.631
_cell_angle_alpha   89.960
_cell_angle_beta   89.944
_cell_angle_gamma   120.073
_symmetry_Int_Tables_number   1
_cell_volume   285.343
_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
  Np  Np0  1  0.000  0.000  0.500  1.0
  Np  Np1  1  0.000  0.000  0.000  1.0
  Np  Np2  1  0.333  0.667  0.250  1.0
  Np  Np3  1  0.667  0.333  0.750  1.0
  Pt  Pt4  1  0.500  0.500  0.500  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Pt  Pt6  1  0.000  0.500  0.500  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  Pt  Pt8  1  0.500  0.000  0.000  1.0
  Pt  Pt9  1  0.000  0.500  0.000  1.0
  Pt  Pt10  1  0.827  0.655  0.250  1.0
  Pt  Pt11  1  0.345  0.173  0.250  1.0
  Pt  Pt12  1  0.827  0.173  0.250  1.0
  Pt  Pt13  1  0.173  0.345  0.750  1.0
  Pt  Pt14  1  0.655  0.827  0.750  1.0
  Pt  Pt15  1  0.173  0.827  0.750  1.0
[/CIF]
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The material structure described by NpPt3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form a mixture of face and corner-sharing NpPt12 cuboctahedra. In the second Np site, Np(2) is bonded to six equivalent Pt(1) and six equivalent Pt(2) atoms to form a mixture of face and corner-sharing NpPt12 cuboctahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a distorted see-saw-like geometry to two equivalent Np(1) and two equivalent Np(2) atoms. In the second Pt site, Pt(1) is bonded in a distorted square co-planar geometry to two equivalent Np(1) and two equivalent Np(2) atoms. is represented by the CIF card [CIF]
data_NpPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   9.631
_cell_angle_alpha   89.960
_cell_angle_beta   89.944
_cell_angle_gamma   120.073
_symmetry_Int_Tables_number   1
_cell_volume   285.343
_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
  Np  Np0  1  0.000  0.000  0.500  1.0
  Np  Np1  1  0.000  0.000  0.000  1.0
  Np  Np2  1  0.333  0.667  0.250  1.0
  Np  Np3  1  0.667  0.333  0.750  1.0
  Pt  Pt4  1  0.500  0.500  0.500  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Pt  Pt6  1  0.000  0.500  0.500  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  Pt  Pt8  1  0.500  0.000  0.000  1.0
  Pt  Pt9  1  0.000  0.500  0.000  1.0
  Pt  Pt10  1  0.827  0.655  0.250  1.0
  Pt  Pt11  1  0.345  0.173  0.250  1.0
  Pt  Pt12  1  0.827  0.173  0.250  1.0
  Pt  Pt13  1  0.173  0.345  0.750  1.0
  Pt  Pt14  1  0.655  0.827  0.750  1.0
  Pt  Pt15  1  0.173  0.827  0.750  1.0
[/CIF]
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