The crystal structure described by Nb3Mo3AlSn crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Al(1), and two equivalent Sn(1) atoms. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Al(1), and two equivalent Sn(1) atoms. Al(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form AlNb6Mo6 cuboctahedra that share edges with six equivalent Al(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Sn(1)Nb6Mo6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form SnNb6Mo6 cuboctahedra that share edges with six equivalent Sn(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Al(1)Nb6Mo6 cuboctahedra. is represented by the CIF card [CIF]
data_Nb3AlSnMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.158
_cell_length_c   5.158
_cell_angle_alpha   90.017
_cell_angle_beta   90.017
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   137.235
_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  0.254  0.999  0.502  1.0
  Nb  Nb1  1  0.999  0.502  0.254  1.0
  Nb  Nb2  1  0.502  0.254  0.999  1.0
  Al  Al3  1  0.501  0.501  0.501  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Mo  Mo5  1  0.746  1.000  0.499  1.0
  Mo  Mo6  1  1.000  0.499  0.746  1.0
  Mo  Mo7  1  0.499  0.746  1.000  1.0
[/CIF]
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The crystal structure described by Nb3Mo3AlSn crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Al(1), and two equivalent Sn(1) atoms. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Al(1), and two equivalent Sn(1) atoms. Al(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form AlNb6Mo6 cuboctahedra that share edges with six equivalent Al(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Sn(1)Nb6Mo6 cuboctahedra. Sn(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form SnNb6Mo6 cuboctahedra that share edges with six equivalent Sn(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Al(1)Nb6Mo6 cuboctahedra. is represented by the CIF card [CIF]
data_Nb3AlSnMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.158
_cell_length_c   5.158
_cell_angle_alpha   90.017
_cell_angle_beta   90.017
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   137.235
_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  0.254  0.999  0.502  1.0
  Nb  Nb1  1  0.999  0.502  0.254  1.0
  Nb  Nb2  1  0.502  0.254  0.999  1.0
  Al  Al3  1  0.501  0.501  0.501  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Mo  Mo5  1  0.746  1.000  0.499  1.0
  Mo  Mo6  1  1.000  0.499  0.746  1.0
  Mo  Mo7  1  0.499  0.746  1.000  1.0
[/CIF]
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