The crystal structure described by Nb3V3AlSn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 14-coordinate geometry to four equivalent Nb(1); six V(1,1,1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the second V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the third V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fourth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fifth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. Al(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1,1) atoms to form AlNb6V6 cuboctahedra that share edges with six equivalent Al(1)Nb6V6 cuboctahedra and faces with eight equivalent Sn(1)Nb6V6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1) atoms to form SnNb6V6 cuboctahedra that share edges with six equivalent Sn(1)Nb6V6 cuboctahedra and faces with eight equivalent Al(1)Nb6V6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3AlV3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.093
_cell_length_c   5.093
_cell_angle_alpha   90.133
_cell_angle_beta   90.133
_cell_angle_gamma   90.133
_symmetry_Int_Tables_number   1
_cell_volume   132.124
_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
  Nb  Nb0  1  0.736  0.001  0.502  1.0
  Nb  Nb1  1  0.001  0.502  0.736  1.0
  Nb  Nb2  1  0.502  0.736  0.001  1.0
  Al  Al3  1  0.496  0.496  0.496  1.0
  V  V4  1  0.258  0.997  0.503  1.0
  V  V5  1  0.997  0.503  0.258  1.0
  V  V6  1  0.503  0.258  0.997  1.0
  Sn  Sn7  1  0.007  0.007  0.007  1.0
[/CIF]
.
The crystal structure described by Nb3V3AlSn is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 14-coordinate geometry to four equivalent Nb(1); six V(1,1,1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the second V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the third V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fourth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. In the fifth V site, V(1) is bonded in a 14-coordinate geometry to six equivalent Nb(1); four V(1,1,1); two equivalent Al(1); and two equivalent Sn(1) atoms. Al(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1,1) atoms to form AlNb6V6 cuboctahedra that share edges with six equivalent Al(1)Nb6V6 cuboctahedra and faces with eight equivalent Sn(1)Nb6V6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six V(1,1,1,1) atoms to form SnNb6V6 cuboctahedra that share edges with six equivalent Sn(1)Nb6V6 cuboctahedra and faces with eight equivalent Al(1)Nb6V6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3AlV3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.093
_cell_length_b   5.093
_cell_length_c   5.093
_cell_angle_alpha   90.133
_cell_angle_beta   90.133
_cell_angle_gamma   90.133
_symmetry_Int_Tables_number   1
_cell_volume   132.124
_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
  Nb  Nb0  1  0.736  0.001  0.502  1.0
  Nb  Nb1  1  0.001  0.502  0.736  1.0
  Nb  Nb2  1  0.502  0.736  0.001  1.0
  Al  Al3  1  0.496  0.496  0.496  1.0
  V  V4  1  0.258  0.997  0.503  1.0
  V  V5  1  0.997  0.503  0.258  1.0
  V  V6  1  0.503  0.258  0.997  1.0
  Sn  Sn7  1  0.007  0.007  0.007  1.0
[/CIF]
.