The structure described by Nd6Mn16Ni7 crystallizes in the cubic Fm-3m space group. Nd(1) is bonded in a 12-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(2) is bonded in a 12-coordinate geometry to three equivalent Nd(1), three equivalent Mn(1), three equivalent Mn(2), and three equivalent Ni(2) atoms. In the second Mn site, Mn(1) is bonded in a 13-coordinate geometry to three equivalent Nd(1), three equivalent Mn(1), three equivalent Mn(2), one Ni(1), and three equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four equivalent Nd(1), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of corner and face-sharing NiNd4Mn8 cuboctahedra. In the second Ni site, Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Mn16Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.758
_cell_length_b   8.758
_cell_length_c   8.758
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   475.002
_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  0.705  0.705  0.295  1.0
  Nd  Nd1  1  0.295  0.705  0.295  1.0
  Nd  Nd2  1  0.705  0.295  0.295  1.0
  Nd  Nd3  1  0.295  0.295  0.705  1.0
  Nd  Nd4  1  0.705  0.295  0.705  1.0
  Nd  Nd5  1  0.295  0.705  0.705  1.0
  Mn  Mn6  1  0.880  0.880  0.361  1.0
  Mn  Mn7  1  0.880  0.361  0.880  1.0
  Mn  Mn8  1  0.361  0.880  0.880  1.0
  Mn  Mn9  1  0.880  0.880  0.880  1.0
  Mn  Mn10  1  0.120  0.120  0.639  1.0
  Mn  Mn11  1  0.120  0.639  0.120  1.0
  Mn  Mn12  1  0.639  0.120  0.120  1.0
  Mn  Mn13  1  0.120  0.120  0.120  1.0
  Mn  Mn14  1  0.678  0.678  0.967  1.0
  Mn  Mn15  1  0.678  0.967  0.678  1.0
  Mn  Mn16  1  0.967  0.678  0.678  1.0
  Mn  Mn17  1  0.678  0.678  0.678  1.0
  Mn  Mn18  1  0.322  0.322  0.033  1.0
  Mn  Mn19  1  0.322  0.033  0.322  1.0
  Mn  Mn20  1  0.033  0.322  0.322  1.0
  Mn  Mn21  1  0.322  0.322  0.322  1.0
  Ni  Ni22  1  0.000  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.000  0.500  1.0
  Ni  Ni24  1  0.500  0.000  0.500  1.0
  Ni  Ni25  1  0.000  0.500  0.500  1.0
  Ni  Ni26  1  0.500  0.500  0.000  1.0
  Ni  Ni27  1  0.000  0.500  0.000  1.0
  Ni  Ni28  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by Nd6Mn16Ni7 crystallizes in the cubic Fm-3m space group. Nd(1) is bonded in a 12-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Ni(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(2) is bonded in a 12-coordinate geometry to three equivalent Nd(1), three equivalent Mn(1), three equivalent Mn(2), and three equivalent Ni(2) atoms. In the second Mn site, Mn(1) is bonded in a 13-coordinate geometry to three equivalent Nd(1), three equivalent Mn(1), three equivalent Mn(2), one Ni(1), and three equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four equivalent Nd(1), four equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of corner and face-sharing NiNd4Mn8 cuboctahedra. In the second Ni site, Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Mn16Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.758
_cell_length_b   8.758
_cell_length_c   8.758
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   475.002
_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  0.705  0.705  0.295  1.0
  Nd  Nd1  1  0.295  0.705  0.295  1.0
  Nd  Nd2  1  0.705  0.295  0.295  1.0
  Nd  Nd3  1  0.295  0.295  0.705  1.0
  Nd  Nd4  1  0.705  0.295  0.705  1.0
  Nd  Nd5  1  0.295  0.705  0.705  1.0
  Mn  Mn6  1  0.880  0.880  0.361  1.0
  Mn  Mn7  1  0.880  0.361  0.880  1.0
  Mn  Mn8  1  0.361  0.880  0.880  1.0
  Mn  Mn9  1  0.880  0.880  0.880  1.0
  Mn  Mn10  1  0.120  0.120  0.639  1.0
  Mn  Mn11  1  0.120  0.639  0.120  1.0
  Mn  Mn12  1  0.639  0.120  0.120  1.0
  Mn  Mn13  1  0.120  0.120  0.120  1.0
  Mn  Mn14  1  0.678  0.678  0.967  1.0
  Mn  Mn15  1  0.678  0.967  0.678  1.0
  Mn  Mn16  1  0.967  0.678  0.678  1.0
  Mn  Mn17  1  0.678  0.678  0.678  1.0
  Mn  Mn18  1  0.322  0.322  0.033  1.0
  Mn  Mn19  1  0.322  0.033  0.322  1.0
  Mn  Mn20  1  0.033  0.322  0.322  1.0
  Mn  Mn21  1  0.322  0.322  0.322  1.0
  Ni  Ni22  1  0.000  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.000  0.500  1.0
  Ni  Ni24  1  0.500  0.000  0.500  1.0
  Ni  Ni25  1  0.000  0.500  0.500  1.0
  Ni  Ni26  1  0.500  0.500  0.000  1.0
  Ni  Ni27  1  0.000  0.500  0.000  1.0
  Ni  Ni28  1  0.500  0.000  0.000  1.0
[/CIF]
.