The material structure described by Nd3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Nd(1), four equivalent Nd(2), and two equivalent In(2) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 3-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), and two equivalent In(2) atoms. is represented by the CIF card [CIF]
data_Nd3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   10.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.565
_symmetry_Int_Tables_number   1
_cell_volume   444.704
_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  0.633  0.633  0.250  1.0
  Nd  Nd1  1  0.367  0.367  0.750  1.0
  Nd  Nd2  1  0.798  0.202  0.500  1.0
  Nd  Nd3  1  0.798  0.202  0.000  1.0
  Nd  Nd4  1  0.202  0.798  0.500  1.0
  Nd  Nd5  1  0.202  0.798  0.000  1.0
  In  In6  1  0.014  0.014  0.250  1.0
  In  In7  1  0.986  0.986  0.750  1.0
  In  In8  1  0.310  0.310  0.050  1.0
  In  In9  1  0.690  0.690  0.950  1.0
  In  In10  1  0.310  0.310  0.450  1.0
  In  In11  1  0.690  0.690  0.550  1.0
  In  In12  1  0.080  0.502  0.250  1.0
  In  In13  1  0.498  0.920  0.750  1.0
  In  In14  1  0.920  0.498  0.750  1.0
  In  In15  1  0.502  0.080  0.250  1.0
[/CIF]
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The material structure described by Nd3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Nd(1), four equivalent Nd(2), and two equivalent In(2) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 3-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), and two equivalent In(2) atoms. is represented by the CIF card [CIF]
data_Nd3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   10.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   101.565
_symmetry_Int_Tables_number   1
_cell_volume   444.704
_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  0.633  0.633  0.250  1.0
  Nd  Nd1  1  0.367  0.367  0.750  1.0
  Nd  Nd2  1  0.798  0.202  0.500  1.0
  Nd  Nd3  1  0.798  0.202  0.000  1.0
  Nd  Nd4  1  0.202  0.798  0.500  1.0
  Nd  Nd5  1  0.202  0.798  0.000  1.0
  In  In6  1  0.014  0.014  0.250  1.0
  In  In7  1  0.986  0.986  0.750  1.0
  In  In8  1  0.310  0.310  0.050  1.0
  In  In9  1  0.690  0.690  0.950  1.0
  In  In10  1  0.310  0.310  0.450  1.0
  In  In11  1  0.690  0.690  0.550  1.0
  In  In12  1  0.080  0.502  0.250  1.0
  In  In13  1  0.498  0.920  0.750  1.0
  In  In14  1  0.920  0.498  0.750  1.0
  In  In15  1  0.502  0.080  0.250  1.0
[/CIF]
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