The compound described by Mn2NiCuSb2 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 in a 10-coordinate geometry to one Ni(1), three equivalent Cu(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to three equivalent Ni(1), one Cu(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. Cu(1) is bonded in a body-centered cubic geometry to one Mn(2), 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 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), three equivalent Ni(1), and one Cu(1) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ni(1), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Mn2CuNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.354
_cell_length_b   7.354
_cell_length_c   7.354
_cell_angle_alpha   33.599
_cell_angle_beta   33.599
_cell_angle_gamma   33.599
_symmetry_Int_Tables_number   1
_cell_volume   108.513
_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  0.253  0.253  0.253  1.0
  Mn  Mn1  1  0.747  0.747  0.747  1.0
  Cu  Cu2  1  0.875  0.875  0.875  1.0
  Ni  Ni3  1  0.374  0.374  0.374  1.0
  Sb  Sb4  1  0.003  0.003  0.003  1.0
  Sb  Sb5  1  0.498  0.498  0.498  1.0
[/CIF]
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The compound described by Mn2NiCuSb2 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 in a 10-coordinate geometry to one Ni(1), three equivalent Cu(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to three equivalent Ni(1), one Cu(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. Ni(1) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Sb(2), and three equivalent Sb(1) atoms. Cu(1) is bonded in a body-centered cubic geometry to one Mn(2), 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 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), three equivalent Ni(1), and one Cu(1) atom. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ni(1), and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Mn2CuNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.354
_cell_length_b   7.354
_cell_length_c   7.354
_cell_angle_alpha   33.599
_cell_angle_beta   33.599
_cell_angle_gamma   33.599
_symmetry_Int_Tables_number   1
_cell_volume   108.513
_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  0.253  0.253  0.253  1.0
  Mn  Mn1  1  0.747  0.747  0.747  1.0
  Cu  Cu2  1  0.875  0.875  0.875  1.0
  Ni  Ni3  1  0.374  0.374  0.374  1.0
  Sb  Sb4  1  0.003  0.003  0.003  1.0
  Sb  Sb5  1  0.498  0.498  0.498  1.0
[/CIF]
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