The material structure described by Mn5SnO8 is Spinel-like structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent O(2) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Mn(2)O6 octahedra. Sn(1) is bonded to four equivalent O(1) atoms to form SnO4 tetrahedra that share corners with twelve equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(2) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Sn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1) and three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn5SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   6.343
_cell_angle_alpha   118.769
_cell_angle_beta   118.769
_cell_angle_gamma   90.016
_symmetry_Int_Tables_number   1
_cell_volume   173.331
_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  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.378  0.620  0.757  1.0
  Mn  Mn2  1  0.378  0.137  0.757  1.0
  Mn  Mn3  1  0.863  0.622  0.243  1.0
  Mn  Mn4  1  0.380  0.622  0.243  1.0
  O  O5  1  0.144  0.873  0.746  1.0
  O  O6  1  0.603  0.873  0.746  1.0
  O  O7  1  0.127  0.397  0.254  1.0
  O  O8  1  0.127  0.856  0.254  1.0
  O  O9  1  0.153  0.381  0.763  1.0
  O  O10  1  0.610  0.381  0.763  1.0
  O  O11  1  0.619  0.390  0.237  1.0
  O  O12  1  0.619  0.847  0.237  1.0
  Sn  Sn13  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mn5SnO8 is Spinel-like structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent O(2) atoms to form corner-sharing MnO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Mn(2)O6 octahedra. Sn(1) is bonded to four equivalent O(1) atoms to form SnO4 tetrahedra that share corners with twelve equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(2) and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Sn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1) and three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn5SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   6.343
_cell_angle_alpha   118.769
_cell_angle_beta   118.769
_cell_angle_gamma   90.016
_symmetry_Int_Tables_number   1
_cell_volume   173.331
_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  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.378  0.620  0.757  1.0
  Mn  Mn2  1  0.378  0.137  0.757  1.0
  Mn  Mn3  1  0.863  0.622  0.243  1.0
  Mn  Mn4  1  0.380  0.622  0.243  1.0
  O  O5  1  0.144  0.873  0.746  1.0
  O  O6  1  0.603  0.873  0.746  1.0
  O  O7  1  0.127  0.397  0.254  1.0
  O  O8  1  0.127  0.856  0.254  1.0
  O  O9  1  0.153  0.381  0.763  1.0
  O  O10  1  0.610  0.381  0.763  1.0
  O  O11  1  0.619  0.390  0.237  1.0
  O  O12  1  0.619  0.847  0.237  1.0
  Sn  Sn13  1  0.000  0.000  0.000  1.0
[/CIF]
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