The crystal structure described by Ni13In9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(4), one Ni(6), two equivalent Ni(5), one In(2), one In(3), one In(4), and three equivalent In(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(4), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted face and corner-sharing NiIn6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 11-coordinate geometry to one Ni(5), two equivalent Ni(2), two equivalent Ni(4), one In(2), one In(4), two equivalent In(1), and two equivalent In(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. In the fifth Ni site, Ni(5) is bonded in a 13-coordinate geometry to one Ni(3), one Ni(6), four equivalent Ni(1), one In(2), one In(3), one In(4), and four equivalent In(1) atoms. In the sixth Ni site, Ni(6) is bonded to two equivalent Ni(5), four equivalent Ni(1), two equivalent In(3), and four equivalent In(1) atoms to form face-sharing NiIn6Ni6 cuboctahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one Ni(6), two equivalent Ni(5), and three equivalent Ni(1) atoms. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ni(5), one Ni(6), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the fourth In site, In(4) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(3), two equivalent Ni(5), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_In9Ni13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   8.994
_cell_angle_alpha   63.253
_cell_angle_beta   63.253
_cell_angle_gamma   77.599
_symmetry_Int_Tables_number   1
_cell_volume   319.213
_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  0.253  0.830  0.190  1.0
  In  In1  1  0.175  0.175  0.383  1.0
  In  In2  1  0.289  0.289  0.666  1.0
  In  In3  1  0.830  0.253  0.190  1.0
  In  In4  1  0.711  0.711  0.334  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  In  In6  1  0.747  0.170  0.810  1.0
  In  In7  1  0.170  0.747  0.810  1.0
  In  In8  1  0.825  0.825  0.617  1.0
  Ni  Ni9  1  0.546  0.063  0.160  1.0
  Ni  Ni10  1  0.500  0.000  0.500  1.0
  Ni  Ni11  1  0.546  0.546  0.676  1.0
  Ni  Ni12  1  0.063  0.546  0.160  1.0
  Ni  Ni13  1  0.454  0.454  0.324  1.0
  Ni  Ni14  1  0.264  0.736  0.500  1.0
  Ni  Ni15  1  0.260  0.260  0.980  1.0
  Ni  Ni16  1  0.937  0.454  0.840  1.0
  Ni  Ni17  1  0.740  0.740  0.020  1.0
  Ni  Ni18  1  0.454  0.937  0.840  1.0
  Ni  Ni19  1  0.736  0.264  0.500  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Ni13In9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(4), one Ni(6), two equivalent Ni(5), one In(2), one In(3), one In(4), and three equivalent In(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ni(4), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted face and corner-sharing NiIn6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 11-coordinate geometry to one Ni(5), two equivalent Ni(2), two equivalent Ni(4), one In(2), one In(4), two equivalent In(1), and two equivalent In(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. In the fifth Ni site, Ni(5) is bonded in a 13-coordinate geometry to one Ni(3), one Ni(6), four equivalent Ni(1), one In(2), one In(3), one In(4), and four equivalent In(1) atoms. In the sixth Ni site, Ni(6) is bonded to two equivalent Ni(5), four equivalent Ni(1), two equivalent In(3), and four equivalent In(1) atoms to form face-sharing NiIn6Ni6 cuboctahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one Ni(6), two equivalent Ni(5), and three equivalent Ni(1) atoms. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(4) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to one Ni(5), one Ni(6), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the fourth In site, In(4) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(3), two equivalent Ni(5), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_In9Ni13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.672
_cell_length_b   6.672
_cell_length_c   8.994
_cell_angle_alpha   63.253
_cell_angle_beta   63.253
_cell_angle_gamma   77.599
_symmetry_Int_Tables_number   1
_cell_volume   319.213
_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  0.253  0.830  0.190  1.0
  In  In1  1  0.175  0.175  0.383  1.0
  In  In2  1  0.289  0.289  0.666  1.0
  In  In3  1  0.830  0.253  0.190  1.0
  In  In4  1  0.711  0.711  0.334  1.0
  In  In5  1  0.500  0.500  0.000  1.0
  In  In6  1  0.747  0.170  0.810  1.0
  In  In7  1  0.170  0.747  0.810  1.0
  In  In8  1  0.825  0.825  0.617  1.0
  Ni  Ni9  1  0.546  0.063  0.160  1.0
  Ni  Ni10  1  0.500  0.000  0.500  1.0
  Ni  Ni11  1  0.546  0.546  0.676  1.0
  Ni  Ni12  1  0.063  0.546  0.160  1.0
  Ni  Ni13  1  0.454  0.454  0.324  1.0
  Ni  Ni14  1  0.264  0.736  0.500  1.0
  Ni  Ni15  1  0.260  0.260  0.980  1.0
  Ni  Ni16  1  0.937  0.454  0.840  1.0
  Ni  Ni17  1  0.740  0.740  0.020  1.0
  Ni  Ni18  1  0.454  0.937  0.840  1.0
  Ni  Ni19  1  0.736  0.264  0.500  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.000  0.500  0.500  1.0
[/CIF]
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