The material described by NdNiIn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ni(1), four equivalent Ni(2), two equivalent In(1), and four equivalent In(2) atoms to form a mixture of face and edge-sharing NdIn6Ni6 cuboctahedra. In the second Nd site, Nd(2) is bonded to two equivalent Ni(1), four equivalent Ni(2), two equivalent In(1), and four equivalent In(2) atoms to form a mixture of face and edge-sharing NdIn6Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), and two equivalent In(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), and two equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Ni(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.794
_cell_length_b   4.537
_cell_length_c   4.580
_cell_angle_alpha   119.661
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.502
_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
  In  In0  1  1.000  0.667  0.334  1.0
  Nd  Nd1  1  0.500  0.335  0.669  1.0
  Ni  Ni2  1  0.000  0.999  0.997  1.0
[/CIF]
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The material described by NdNiIn is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ni(1), four equivalent Ni(2), two equivalent In(1), and four equivalent In(2) atoms to form a mixture of face and edge-sharing NdIn6Ni6 cuboctahedra. In the second Nd site, Nd(2) is bonded to two equivalent Ni(1), four equivalent Ni(2), two equivalent In(1), and four equivalent In(2) atoms to form a mixture of face and edge-sharing NdIn6Ni6 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), and two equivalent In(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), and two equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Ni(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ni(1), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.794
_cell_length_b   4.537
_cell_length_c   4.580
_cell_angle_alpha   119.661
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.502
_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
  In  In0  1  1.000  0.667  0.334  1.0
  Nd  Nd1  1  0.500  0.335  0.669  1.0
  Ni  Ni2  1  0.000  0.999  0.997  1.0
[/CIF]
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