The structure described by NpNi5 crystallizes in the orthorhombic Cmmm space group. Np(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(3), and eight equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Np(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form NiNp4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(3)Np3Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Np4Ni8 cuboctahedra, edges with four equivalent Ni(2)Np4Ni8 cuboctahedra, edges with six equivalent Ni(1)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(3)Np3Ni6 cuboctahedra, faces with four equivalent Ni(3)Np3Ni6 cuboctahedra, faces with four equivalent Ni(2)Np4Ni8 cuboctahedra, and faces with six equivalent Ni(1)Np4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Np(1), four equivalent Ni(1), and four equivalent Ni(3) atoms to form NiNp4Ni8 cuboctahedra that share corners with eight equivalent Ni(3)Np3Ni6 cuboctahedra, corners with eight equivalent Ni(1)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Np4Ni8 cuboctahedra, edges with two equivalent Ni(2)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(3)Np3Ni6 cuboctahedra, edges with eight equivalent Ni(1)Np4Ni8 cuboctahedra, faces with two equivalent Ni(2)Np4Ni8 cuboctahedra, faces with four equivalent Ni(3)Np3Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Np4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Np(1), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiNp3Ni6 cuboctahedra that share corners with four equivalent Ni(2)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Np4Ni8 cuboctahedra, corners with fifteen equivalent Ni(3)Np3Ni6 cuboctahedra, edges with four equivalent Ni(2)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Np4Ni8 cuboctahedra, faces with two equivalent Ni(2)Np4Ni8 cuboctahedra, faces with four equivalent Ni(1)Np4Ni8 cuboctahedra, and faces with five equivalent Ni(3)Np3Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_NpNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   4.844
_cell_length_c   4.857
_cell_angle_alpha   120.079
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.880
_cell_formula_units_Z   1
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  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.666  0.333  1.0
  Ni  Ni5  1  0.000  0.334  0.667  1.0
[/CIF]
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The structure described by NpNi5 crystallizes in the orthorhombic Cmmm space group. Np(1) is bonded in a 18-coordinate geometry to four equivalent Ni(2), six equivalent Ni(3), and eight equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Np(1), two equivalent Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form NiNp4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(3)Np3Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Np4Ni8 cuboctahedra, edges with four equivalent Ni(2)Np4Ni8 cuboctahedra, edges with six equivalent Ni(1)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(3)Np3Ni6 cuboctahedra, faces with four equivalent Ni(3)Np3Ni6 cuboctahedra, faces with four equivalent Ni(2)Np4Ni8 cuboctahedra, and faces with six equivalent Ni(1)Np4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Np(1), four equivalent Ni(1), and four equivalent Ni(3) atoms to form NiNp4Ni8 cuboctahedra that share corners with eight equivalent Ni(3)Np3Ni6 cuboctahedra, corners with eight equivalent Ni(1)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Np4Ni8 cuboctahedra, edges with two equivalent Ni(2)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(3)Np3Ni6 cuboctahedra, edges with eight equivalent Ni(1)Np4Ni8 cuboctahedra, faces with two equivalent Ni(2)Np4Ni8 cuboctahedra, faces with four equivalent Ni(3)Np3Ni6 cuboctahedra, and faces with eight equivalent Ni(1)Np4Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Np(1), two equivalent Ni(2), and four equivalent Ni(1) atoms to form distorted NiNp3Ni6 cuboctahedra that share corners with four equivalent Ni(2)Np4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Np4Ni8 cuboctahedra, corners with fifteen equivalent Ni(3)Np3Ni6 cuboctahedra, edges with four equivalent Ni(2)Np4Ni8 cuboctahedra, edges with eight equivalent Ni(1)Np4Ni8 cuboctahedra, faces with two equivalent Ni(2)Np4Ni8 cuboctahedra, faces with four equivalent Ni(1)Np4Ni8 cuboctahedra, and faces with five equivalent Ni(3)Np3Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_NpNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.924
_cell_length_b   4.844
_cell_length_c   4.857
_cell_angle_alpha   120.079
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.880
_cell_formula_units_Z   1
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  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.000  0.666  0.333  1.0
  Ni  Ni5  1  0.000  0.334  0.667  1.0
[/CIF]
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