The material described by NbRuIn is half-Heusler structured and crystallizes in the cubic F-43m space group. Nb(1) is bonded to four equivalent Ru(1) and six equivalent In(1) atoms to form distorted NbIn6Ru4 tetrahedra that share corners with four equivalent In(1)Nb6Ru4 tetrahedra, corners with six equivalent Nb(1)In6Ru4 tetrahedra, edges with six equivalent In(1)Nb6Ru4 tetrahedra, and faces with twelve equivalent Nb(1)In6Ru4 tetrahedra. Ru(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent In(1) atoms. In(1) is bonded to six equivalent Nb(1) and four equivalent Ru(1) atoms to form distorted InNb6Ru4 tetrahedra that share corners with four equivalent Nb(1)In6Ru4 tetrahedra, corners with six equivalent In(1)Nb6Ru4 tetrahedra, edges with six equivalent Nb(1)In6Ru4 tetrahedra, and faces with twelve equivalent In(1)Nb6Ru4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbInRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   4.428
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.395
_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  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Ru  Ru2  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by NbRuIn is half-Heusler structured and crystallizes in the cubic F-43m space group. Nb(1) is bonded to four equivalent Ru(1) and six equivalent In(1) atoms to form distorted NbIn6Ru4 tetrahedra that share corners with four equivalent In(1)Nb6Ru4 tetrahedra, corners with six equivalent Nb(1)In6Ru4 tetrahedra, edges with six equivalent In(1)Nb6Ru4 tetrahedra, and faces with twelve equivalent Nb(1)In6Ru4 tetrahedra. Ru(1) is bonded in a body-centered cubic geometry to four equivalent Nb(1) and four equivalent In(1) atoms. In(1) is bonded to six equivalent Nb(1) and four equivalent Ru(1) atoms to form distorted InNb6Ru4 tetrahedra that share corners with four equivalent Nb(1)In6Ru4 tetrahedra, corners with six equivalent In(1)Nb6Ru4 tetrahedra, edges with six equivalent Nb(1)In6Ru4 tetrahedra, and faces with twelve equivalent In(1)Nb6Ru4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbInRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   4.428
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   61.395
_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  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Ru  Ru2  1  0.750  0.750  0.750  1.0
[/CIF]
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