The compound described by Nb3Mo3SnSi crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Sn(1), and two equivalent Si(1) atoms. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Sn(1), and two equivalent Si(1) atoms. 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 Si(1)Nb6Mo6 cuboctahedra. Si(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form SiNb6Mo6 cuboctahedra that share edges with six equivalent Si(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Sn(1)Nb6Mo6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3SiSnMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.128
_cell_length_c   5.128
_cell_angle_alpha   89.903
_cell_angle_beta   89.903
_cell_angle_gamma   89.903
_symmetry_Int_Tables_number   1
_cell_volume   134.871
_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  0.256  0.999  0.501  1.0
  Nb  Nb1  1  0.999  0.501  0.256  1.0
  Nb  Nb2  1  0.501  0.256  0.999  1.0
  Si  Si3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Mo  Mo5  1  0.745  0.999  0.501  1.0
  Mo  Mo6  1  0.999  0.501  0.745  1.0
  Mo  Mo7  1  0.501  0.745  0.999  1.0
[/CIF]
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The compound described by Nb3Mo3SnSi crystallizes in the trigonal R3 space group. Nb(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Sn(1), and two equivalent Si(1) atoms. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Sn(1), and two equivalent Si(1) atoms. 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 Si(1)Nb6Mo6 cuboctahedra. Si(1) is bonded to six equivalent Nb(1) and six equivalent Mo(1) atoms to form SiNb6Mo6 cuboctahedra that share edges with six equivalent Si(1)Nb6Mo6 cuboctahedra and faces with eight equivalent Sn(1)Nb6Mo6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3SiSnMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.128
_cell_length_b   5.128
_cell_length_c   5.128
_cell_angle_alpha   89.903
_cell_angle_beta   89.903
_cell_angle_gamma   89.903
_symmetry_Int_Tables_number   1
_cell_volume   134.871
_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  0.256  0.999  0.501  1.0
  Nb  Nb1  1  0.999  0.501  0.256  1.0
  Nb  Nb2  1  0.501  0.256  0.999  1.0
  Si  Si3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.999  0.999  0.999  1.0
  Mo  Mo5  1  0.745  0.999  0.501  1.0
  Mo  Mo6  1  0.999  0.501  0.745  1.0
  Mo  Mo7  1  0.501  0.745  0.999  1.0
[/CIF]
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