The material described by Mn2NiSn is Zintl Phase-derived structured and 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 Sn(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), six equivalent Ni(1), and four equivalent Sn(1) atoms to form a mixture of distorted face and corner-sharing MnMn4Ni6Sn4 tetrahedra. Ni(1) is bonded in a 14-coordinate geometry to four equivalent Mn(1), six equivalent Mn(2), and four equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Mn(2), six equivalent Mn(1), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Mn2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.276
_cell_length_b   4.276
_cell_length_c   4.276
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.286
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.250  0.250  0.250  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Mn2NiSn is Zintl Phase-derived structured and 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 Sn(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1), six equivalent Ni(1), and four equivalent Sn(1) atoms to form a mixture of distorted face and corner-sharing MnMn4Ni6Sn4 tetrahedra. Ni(1) is bonded in a 14-coordinate geometry to four equivalent Mn(1), six equivalent Mn(2), and four equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to four equivalent Mn(2), six equivalent Mn(1), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Mn2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.276
_cell_length_b   4.276
_cell_length_c   4.276
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   55.286
_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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.250  0.250  0.250  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
[/CIF]
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