The material structure described by MnSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form MnSn12 cuboctahedra that share corners with four equivalent Mn(1)Sn12 cuboctahedra, corners with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, edges with eight equivalent Mn(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Mn4Sn8 cuboctahedra, faces with four equivalent Mn(1)Sn12 cuboctahedra, faces with six equivalent Sn(2)Mn4Sn8 cuboctahedra, and faces with eight equivalent Sn(1)Mn4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Mn(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with twelve equivalent Sn(1)Mn4Sn8 cuboctahedra, edges with eight equivalent Mn(1)Sn12 cuboctahedra, edges with eight equivalent Sn(1)Mn4Sn8 cuboctahedra, edges with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, faces with four equivalent Mn(1)Sn12 cuboctahedra, faces with four equivalent Sn(2)Mn4Sn8 cuboctahedra, and faces with ten equivalent Sn(1)Mn4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded to four equivalent Mn(1) and eight equivalent Sn(1) atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent Sn(2)Mn4Sn8 cuboctahedra, corners with eight equivalent Mn(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, edges with sixteen equivalent Sn(1)Mn4Sn8 cuboctahedra, faces with four equivalent Sn(2)Mn4Sn8 cuboctahedra, faces with six equivalent Mn(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Mn4Sn8 cuboctahedra. is represented by the CIF file [CIF]
data_MnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.761
_cell_length_c   5.761
_cell_angle_alpha   133.733
_cell_angle_beta   133.733
_cell_angle_gamma   67.506
_symmetry_Int_Tables_number   1
_cell_volume   98.137
_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  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by MnSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form MnSn12 cuboctahedra that share corners with four equivalent Mn(1)Sn12 cuboctahedra, corners with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, edges with eight equivalent Mn(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Mn4Sn8 cuboctahedra, faces with four equivalent Mn(1)Sn12 cuboctahedra, faces with six equivalent Sn(2)Mn4Sn8 cuboctahedra, and faces with eight equivalent Sn(1)Mn4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Mn(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with twelve equivalent Sn(1)Mn4Sn8 cuboctahedra, edges with eight equivalent Mn(1)Sn12 cuboctahedra, edges with eight equivalent Sn(1)Mn4Sn8 cuboctahedra, edges with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, faces with four equivalent Mn(1)Sn12 cuboctahedra, faces with four equivalent Sn(2)Mn4Sn8 cuboctahedra, and faces with ten equivalent Sn(1)Mn4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded to four equivalent Mn(1) and eight equivalent Sn(1) atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent Sn(2)Mn4Sn8 cuboctahedra, corners with eight equivalent Mn(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Mn4Sn8 cuboctahedra, edges with sixteen equivalent Sn(1)Mn4Sn8 cuboctahedra, faces with four equivalent Sn(2)Mn4Sn8 cuboctahedra, faces with six equivalent Mn(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Mn4Sn8 cuboctahedra. is represented by the CIF file [CIF]
data_MnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.761
_cell_length_c   5.761
_cell_angle_alpha   133.733
_cell_angle_beta   133.733
_cell_angle_gamma   67.506
_symmetry_Int_Tables_number   1
_cell_volume   98.137
_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  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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