The compound described by NpTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form NpTm12 cuboctahedra that share corners with four equivalent Np(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Tm8Np4 cuboctahedra, edges with eight equivalent Np(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Np4 cuboctahedra, faces with four equivalent Np(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Tm8Np4 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Np4 cuboctahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Np(1), four equivalent Tm(1), and four equivalent Tm(2) atoms to form TmTm8Np4 cuboctahedra that share corners with twelve equivalent Tm(1)Tm8Np4 cuboctahedra, edges with eight equivalent Np(1)Tm12 cuboctahedra, edges with eight equivalent Tm(1)Tm8Np4 cuboctahedra, edges with eight equivalent Tm(2)Tm8Np4 cuboctahedra, faces with four equivalent Np(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Tm8Np4 cuboctahedra, and faces with ten equivalent Tm(1)Tm8Np4 cuboctahedra. In the second Tm site, Tm(2) is bonded to four equivalent Np(1) and eight equivalent Tm(1) atoms to form TmTm8Np4 cuboctahedra that share corners with four equivalent Tm(2)Tm8Np4 cuboctahedra, corners with eight equivalent Np(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Tm8Np4 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Np4 cuboctahedra, faces with four equivalent Tm(2)Tm8Np4 cuboctahedra, faces with six equivalent Np(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Np4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3Np
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.034
_cell_length_c   6.034
_cell_angle_alpha   132.733
_cell_angle_beta   132.733
_cell_angle_gamma   69.074
_symmetry_Int_Tables_number   1
_cell_volume   116.312
_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
  Tm  Tm0  1  0.250  0.750  0.500  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.000  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by NpTm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form NpTm12 cuboctahedra that share corners with four equivalent Np(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Tm8Np4 cuboctahedra, edges with eight equivalent Np(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Np4 cuboctahedra, faces with four equivalent Np(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Tm8Np4 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Np4 cuboctahedra. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Np(1), four equivalent Tm(1), and four equivalent Tm(2) atoms to form TmTm8Np4 cuboctahedra that share corners with twelve equivalent Tm(1)Tm8Np4 cuboctahedra, edges with eight equivalent Np(1)Tm12 cuboctahedra, edges with eight equivalent Tm(1)Tm8Np4 cuboctahedra, edges with eight equivalent Tm(2)Tm8Np4 cuboctahedra, faces with four equivalent Np(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Tm8Np4 cuboctahedra, and faces with ten equivalent Tm(1)Tm8Np4 cuboctahedra. In the second Tm site, Tm(2) is bonded to four equivalent Np(1) and eight equivalent Tm(1) atoms to form TmTm8Np4 cuboctahedra that share corners with four equivalent Tm(2)Tm8Np4 cuboctahedra, corners with eight equivalent Np(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Tm8Np4 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Np4 cuboctahedra, faces with four equivalent Tm(2)Tm8Np4 cuboctahedra, faces with six equivalent Np(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Np4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3Np
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.034
_cell_length_c   6.034
_cell_angle_alpha   132.733
_cell_angle_beta   132.733
_cell_angle_gamma   69.074
_symmetry_Int_Tables_number   1
_cell_volume   116.312
_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
  Tm  Tm0  1  0.250  0.750  0.500  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.000  1.0
  Np  Np3  1  0.000  0.000  0.000  1.0
[/CIF]
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