The crystal structure described by Nd7Ni5In6Ge3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent Ni(3), two equivalent In(2), four equivalent In(1), and two equivalent Ge(1) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), two equivalent In(1), four equivalent In(2), and two equivalent Ge(1) atoms. In the third Nd site, Nd(3) is bonded to six equivalent Ni(3) and six equivalent Ge(1) atoms to form face-sharing NdNi6Ge6 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent In(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2) and six equivalent In(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), one In(1), and two equivalent Ge(1) 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(2), four equivalent Nd(1), one Ni(3), and two equivalent Ni(1) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Ni(2), and one Ge(1) atom. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), two equivalent Ni(3), and one In(2) atom. is represented by the CIF card [CIF]
data_Nd7In6Ni5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.473
_cell_length_b   11.473
_cell_length_c   4.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.562
_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
  Nd  Nd0  1  0.712  0.751  0.000  1.0
  Nd  Nd1  1  0.039  0.288  0.000  1.0
  Nd  Nd2  1  0.249  0.961  0.000  1.0
  Nd  Nd3  1  0.955  0.591  0.000  1.0
  Nd  Nd4  1  0.636  0.045  0.000  1.0
  Nd  Nd5  1  0.409  0.364  0.000  1.0
  Nd  Nd6  1  0.333  0.667  0.000  1.0
  In  In7  1  0.848  0.016  0.500  1.0
  In  In8  1  0.169  0.152  0.500  1.0
  In  In9  1  0.984  0.831  0.500  1.0
  In  In10  1  0.815  0.310  0.500  1.0
  In  In11  1  0.495  0.185  0.500  1.0
  In  In12  1  0.690  0.505  0.500  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  Ni  Ni14  1  0.667  0.333  0.000  1.0
  Ni  Ni15  1  0.169  0.749  0.500  1.0
  Ni  Ni16  1  0.580  0.831  0.500  1.0
  Ni  Ni17  1  0.251  0.420  0.500  1.0
  Ge  Ge18  1  0.488  0.589  0.500  1.0
  Ge  Ge19  1  0.102  0.512  0.500  1.0
  Ge  Ge20  1  0.411  0.898  0.500  1.0
[/CIF]
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The crystal structure described by Nd7Ni5In6Ge3 crystallizes in the hexagonal P-6 space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent Ni(3), two equivalent In(2), four equivalent In(1), and two equivalent Ge(1) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), two equivalent In(1), four equivalent In(2), and two equivalent Ge(1) atoms. In the third Nd site, Nd(3) is bonded to six equivalent Ni(3) and six equivalent Ge(1) atoms to form face-sharing NdNi6Ge6 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent In(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2) and six equivalent In(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), one In(1), and two equivalent Ge(1) 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(2), four equivalent Nd(1), one Ni(3), and two equivalent Ni(1) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Ni(2), and one Ge(1) atom. Ge(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), two equivalent Ni(3), and one In(2) atom. is represented by the CIF card [CIF]
data_Nd7In6Ni5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.473
_cell_length_b   11.473
_cell_length_c   4.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   474.562
_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
  Nd  Nd0  1  0.712  0.751  0.000  1.0
  Nd  Nd1  1  0.039  0.288  0.000  1.0
  Nd  Nd2  1  0.249  0.961  0.000  1.0
  Nd  Nd3  1  0.955  0.591  0.000  1.0
  Nd  Nd4  1  0.636  0.045  0.000  1.0
  Nd  Nd5  1  0.409  0.364  0.000  1.0
  Nd  Nd6  1  0.333  0.667  0.000  1.0
  In  In7  1  0.848  0.016  0.500  1.0
  In  In8  1  0.169  0.152  0.500  1.0
  In  In9  1  0.984  0.831  0.500  1.0
  In  In10  1  0.815  0.310  0.500  1.0
  In  In11  1  0.495  0.185  0.500  1.0
  In  In12  1  0.690  0.505  0.500  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  Ni  Ni14  1  0.667  0.333  0.000  1.0
  Ni  Ni15  1  0.169  0.749  0.500  1.0
  Ni  Ni16  1  0.580  0.831  0.500  1.0
  Ni  Ni17  1  0.251  0.420  0.500  1.0
  Ge  Ge18  1  0.488  0.589  0.500  1.0
  Ge  Ge19  1  0.102  0.512  0.500  1.0
  Ge  Ge20  1  0.411  0.898  0.500  1.0
[/CIF]
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