The material described by Nb3In crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent In(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Nb(2) atoms. In(1) is bonded in a 12-coordinate geometry to eight equivalent Nb(1) and four equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Nb3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.903
_cell_length_b   2.903
_cell_length_c   9.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.456
_symmetry_Int_Tables_number   1
_cell_volume   76.382
_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  0.500  0.500  0.743  1.0
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.257  1.0
  In  In3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Nb3In crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent In(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Nb(2) atoms. In(1) is bonded in a 12-coordinate geometry to eight equivalent Nb(1) and four equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Nb3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.903
_cell_length_b   2.903
_cell_length_c   9.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.456
_symmetry_Int_Tables_number   1
_cell_volume   76.382
_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  0.500  0.500  0.743  1.0
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.500  0.500  0.257  1.0
  In  In3  1  0.000  0.000  0.000  1.0
[/CIF]
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