The material described by Mn2NiSb crystallizes in the cubic F-43m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to four equivalent Mn(2), four equivalent Ni(1), and six equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1) and four equivalent Sb(1) atoms to form distorted edge-sharing MnMn4Sb4 tetrahedra. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1) and four equivalent Sb(1) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), six equivalent Mn(1), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.271
_cell_length_b   4.271
_cell_length_c   4.271
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.101
_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  0.250  0.250  0.250  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.750  0.750  0.750  1.0
[/CIF]
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The material described by Mn2NiSb crystallizes in the cubic F-43m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to four equivalent Mn(2), four equivalent Ni(1), and six equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1) and four equivalent Sb(1) atoms to form distorted edge-sharing MnMn4Sb4 tetrahedra. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1) and four equivalent Sb(1) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), six equivalent Mn(1), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.271
_cell_length_b   4.271
_cell_length_c   4.271
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.101
_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  0.250  0.250  0.250  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.750  0.750  0.750  1.0
[/CIF]
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