The compound described by MgMn(NiSb)2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 10-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), one Sb(1), and three equivalent Sb(2) atoms. Mn(1) is bonded to three equivalent Ni(1), three equivalent Ni(2), one Sb(2), and three equivalent Sb(1) atoms to form distorted face-sharing MnNi6Sb4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Mn(1), one Sb(2), and three equivalent Sb(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mn(1), one Ni(2), and three equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to three equivalent Mg(1), one Mn(1), one Ni(1), and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn(NiSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   7.598
_cell_angle_alpha   73.391
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.176
_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
  Mg  Mg0  1  0.997  0.994  0.009  1.0
  Mn  Mn1  1  0.502  0.005  0.493  1.0
  Ni  Ni2  1  0.247  0.495  0.258  1.0
  Ni  Ni3  1  0.751  0.502  0.748  1.0
  Sb  Sb4  1  0.871  0.742  0.387  1.0
  Sb  Sb5  1  0.382  0.763  0.855  1.0
[/CIF]
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The compound described by MgMn(NiSb)2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 10-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), one Sb(1), and three equivalent Sb(2) atoms. Mn(1) is bonded to three equivalent Ni(1), three equivalent Ni(2), one Sb(2), and three equivalent Sb(1) atoms to form distorted face-sharing MnNi6Sb4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Mn(1), one Sb(2), and three equivalent Sb(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Mg(1), three equivalent Mn(1), one Ni(2), and three equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to three equivalent Mg(1), one Mn(1), one Ni(1), and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn(NiSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   7.598
_cell_angle_alpha   73.391
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.176
_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
  Mg  Mg0  1  0.997  0.994  0.009  1.0
  Mn  Mn1  1  0.502  0.005  0.493  1.0
  Ni  Ni2  1  0.247  0.495  0.258  1.0
  Ni  Ni3  1  0.751  0.502  0.748  1.0
  Sb  Sb4  1  0.871  0.742  0.387  1.0
  Sb  Sb5  1  0.382  0.763  0.855  1.0
[/CIF]
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