The material structure described by Mn2CoNiSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Co(1), three equivalent Ni(1), one Sb(2), and three equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing MnCo3Ni3Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent Co(1), three equivalent Ni(1), one Sb(1), and three equivalent Sb(2) atoms to form a mixture of distorted corner and face-sharing MnCo3Ni3Sb4 tetrahedra. Co(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Sb(1), and three equivalent Sb(2) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Co(1), and three equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), three equivalent Co(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2CoNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   33.529
_cell_angle_beta   33.529
_cell_angle_gamma   33.529
_symmetry_Int_Tables_number   1
_cell_volume   109.985
_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
  Mn  Mn0  1  0.749  0.749  0.749  1.0
  Mn  Mn1  1  0.251  0.251  0.251  1.0
  Co  Co2  1  1.000  1.000  1.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Sb  Sb4  1  0.124  0.124  0.124  1.0
  Sb  Sb5  1  0.626  0.626  0.626  1.0
[/CIF]
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The material structure described by Mn2CoNiSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Co(1), three equivalent Ni(1), one Sb(2), and three equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing MnCo3Ni3Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent Co(1), three equivalent Ni(1), one Sb(1), and three equivalent Sb(2) atoms to form a mixture of distorted corner and face-sharing MnCo3Ni3Sb4 tetrahedra. Co(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Sb(1), and three equivalent Sb(2) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Co(1), and three equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), three equivalent Co(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2CoNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   33.529
_cell_angle_beta   33.529
_cell_angle_gamma   33.529
_symmetry_Int_Tables_number   1
_cell_volume   109.985
_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
  Mn  Mn0  1  0.749  0.749  0.749  1.0
  Mn  Mn1  1  0.251  0.251  0.251  1.0
  Co  Co2  1  1.000  1.000  1.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Sb  Sb4  1  0.124  0.124  0.124  1.0
  Sb  Sb5  1  0.626  0.626  0.626  1.0
[/CIF]
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