The material described by NdNiIn4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent In(2), four equivalent In(1), and six equivalent In(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one In(2), and six equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent In(3), and four equivalent In(2) atoms. In the second In site, In(2) is bonded in a 2-coordinate geometry to three equivalent Nd(1), one Ni(1), and four equivalent In(1) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), and one In(1) atom. is represented by the CIF card [CIF]
data_NdIn4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.687
_cell_length_b   8.687
_cell_length_c   7.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.917
_symmetry_Int_Tables_number   1
_cell_volume   274.473
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.881  0.119  0.750  1.0
  Nd  Nd1  1  0.119  0.881  0.250  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  In  In3  1  0.500  0.500  0.500  1.0
  In  In4  1  0.075  0.925  0.750  1.0
  In  In5  1  0.925  0.075  0.250  1.0
  In  In6  1  0.688  0.312  0.952  1.0
  In  In7  1  0.312  0.688  0.048  1.0
  In  In8  1  0.688  0.312  0.548  1.0
  In  In9  1  0.312  0.688  0.452  1.0
  Ni  Ni10  1  0.227  0.773  0.750  1.0
  Ni  Ni11  1  0.773  0.227  0.250  1.0
[/CIF]
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The material described by NdNiIn4 crystallizes in the orthorhombic Cmcm space group. Nd(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent In(2), four equivalent In(1), and six equivalent In(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one In(2), and six equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to four equivalent Nd(1), two equivalent In(3), and four equivalent In(2) atoms. In the second In site, In(2) is bonded in a 2-coordinate geometry to three equivalent Nd(1), one Ni(1), and four equivalent In(1) atoms. In the third In site, In(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1), three equivalent Ni(1), and one In(1) atom. is represented by the CIF card [CIF]
data_NdIn4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.687
_cell_length_b   8.687
_cell_length_c   7.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.917
_symmetry_Int_Tables_number   1
_cell_volume   274.473
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.881  0.119  0.750  1.0
  Nd  Nd1  1  0.119  0.881  0.250  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  In  In3  1  0.500  0.500  0.500  1.0
  In  In4  1  0.075  0.925  0.750  1.0
  In  In5  1  0.925  0.075  0.250  1.0
  In  In6  1  0.688  0.312  0.952  1.0
  In  In7  1  0.312  0.688  0.048  1.0
  In  In8  1  0.688  0.312  0.548  1.0
  In  In9  1  0.312  0.688  0.452  1.0
  Ni  Ni10  1  0.227  0.773  0.750  1.0
  Ni  Ni11  1  0.773  0.227  0.250  1.0
[/CIF]
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