The crystal structure described by NpSc3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Sc(2) and eight equivalent Sc(1) atoms to form NpSc12 cuboctahedra that share corners with four equivalent Np(1)Sc12 cuboctahedra, corners with eight equivalent Sc(2)Np4Sc8 cuboctahedra, edges with eight equivalent Np(1)Sc12 cuboctahedra, edges with sixteen equivalent Sc(1)Np4Sc8 cuboctahedra, faces with four equivalent Np(1)Sc12 cuboctahedra, faces with six equivalent Sc(2)Np4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Np4Sc8 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Np(1), four equivalent Sc(1), and four equivalent Sc(2) atoms to form ScNp4Sc8 cuboctahedra that share corners with twelve equivalent Sc(1)Np4Sc8 cuboctahedra, edges with eight equivalent Np(1)Sc12 cuboctahedra, edges with eight equivalent Sc(1)Np4Sc8 cuboctahedra, edges with eight equivalent Sc(2)Np4Sc8 cuboctahedra, faces with four equivalent Np(1)Sc12 cuboctahedra, faces with four equivalent Sc(2)Np4Sc8 cuboctahedra, and faces with ten equivalent Sc(1)Np4Sc8 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Np(1) and eight equivalent Sc(1) atoms to form ScNp4Sc8 cuboctahedra that share corners with four equivalent Sc(2)Np4Sc8 cuboctahedra, corners with eight equivalent Np(1)Sc12 cuboctahedra, edges with eight equivalent Sc(2)Np4Sc8 cuboctahedra, edges with sixteen equivalent Sc(1)Np4Sc8 cuboctahedra, faces with four equivalent Sc(2)Np4Sc8 cuboctahedra, faces with six equivalent Np(1)Sc12 cuboctahedra, and faces with eight equivalent Sc(1)Np4Sc8 cuboctahedra. is represented by the CIF file [CIF]
data_NpSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   5.746
_cell_angle_alpha   133.839
_cell_angle_beta   133.839
_cell_angle_gamma   67.339
_symmetry_Int_Tables_number   1
_cell_volume   97.042
_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
  Sc  Sc1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by NpSc3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Sc(2) and eight equivalent Sc(1) atoms to form NpSc12 cuboctahedra that share corners with four equivalent Np(1)Sc12 cuboctahedra, corners with eight equivalent Sc(2)Np4Sc8 cuboctahedra, edges with eight equivalent Np(1)Sc12 cuboctahedra, edges with sixteen equivalent Sc(1)Np4Sc8 cuboctahedra, faces with four equivalent Np(1)Sc12 cuboctahedra, faces with six equivalent Sc(2)Np4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Np4Sc8 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Np(1), four equivalent Sc(1), and four equivalent Sc(2) atoms to form ScNp4Sc8 cuboctahedra that share corners with twelve equivalent Sc(1)Np4Sc8 cuboctahedra, edges with eight equivalent Np(1)Sc12 cuboctahedra, edges with eight equivalent Sc(1)Np4Sc8 cuboctahedra, edges with eight equivalent Sc(2)Np4Sc8 cuboctahedra, faces with four equivalent Np(1)Sc12 cuboctahedra, faces with four equivalent Sc(2)Np4Sc8 cuboctahedra, and faces with ten equivalent Sc(1)Np4Sc8 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Np(1) and eight equivalent Sc(1) atoms to form ScNp4Sc8 cuboctahedra that share corners with four equivalent Sc(2)Np4Sc8 cuboctahedra, corners with eight equivalent Np(1)Sc12 cuboctahedra, edges with eight equivalent Sc(2)Np4Sc8 cuboctahedra, edges with sixteen equivalent Sc(1)Np4Sc8 cuboctahedra, faces with four equivalent Sc(2)Np4Sc8 cuboctahedra, faces with six equivalent Np(1)Sc12 cuboctahedra, and faces with eight equivalent Sc(1)Np4Sc8 cuboctahedra. is represented by the CIF file [CIF]
data_NpSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.746
_cell_length_b   5.746
_cell_length_c   5.746
_cell_angle_alpha   133.839
_cell_angle_beta   133.839
_cell_angle_gamma   67.339
_symmetry_Int_Tables_number   1
_cell_volume   97.042
_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
  Sc  Sc1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
[/CIF]
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