The structure described by Nb6GaSn crystallizes in the cubic Pm-3 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Ga(1), and two equivalent Sn(1) atoms. Ga(1) is bonded to twelve equivalent Nb(1) atoms to form GaNb12 cuboctahedra that share edges with six equivalent Ga(1)Nb12 cuboctahedra and faces with eight equivalent Sn(1)Nb12 cuboctahedra. Sn(1) is bonded to twelve equivalent Nb(1) atoms to form SnNb12 cuboctahedra that share edges with six equivalent Sn(1)Nb12 cuboctahedra and faces with eight equivalent Ga(1)Nb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.267
_cell_length_c   5.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.140
_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  0.000  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Nb6GaSn crystallizes in the cubic Pm-3 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Ga(1), and two equivalent Sn(1) atoms. Ga(1) is bonded to twelve equivalent Nb(1) atoms to form GaNb12 cuboctahedra that share edges with six equivalent Ga(1)Nb12 cuboctahedra and faces with eight equivalent Sn(1)Nb12 cuboctahedra. Sn(1) is bonded to twelve equivalent Nb(1) atoms to form SnNb12 cuboctahedra that share edges with six equivalent Sn(1)Nb12 cuboctahedra and faces with eight equivalent Ga(1)Nb12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   5.267
_cell_length_c   5.267
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.140
_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  0.000  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Ga  Ga6  1  0.500  0.500  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
[/CIF]
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