The structure described by Sr2TiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Sr2TiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   5.500
_cell_length_c   5.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.431
_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  1.000  0.000  1.0
  O  O1  1  0.500  0.000  1.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  1.000  0.247  0.753  1.0
  O  O4  1  0.000  0.753  0.247  1.0
  O  O5  1  0.000  0.753  0.753  1.0
  O  O6  1  1.000  0.247  0.247  1.0
  Sr  Sr7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.500  0.500  1.000  1.0
  Ti  Ti9  1  1.000  0.500  0.500  1.0
[/CIF]
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The structure described by Sr2TiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Sr2TiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   5.500
_cell_length_c   5.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.431
_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  1.000  0.000  1.0
  O  O1  1  0.500  0.000  1.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
  O  O3  1  1.000  0.247  0.753  1.0
  O  O4  1  0.000  0.753  0.247  1.0
  O  O5  1  0.000  0.753  0.753  1.0
  O  O6  1  1.000  0.247  0.247  1.0
  Sr  Sr7  1  0.500  1.000  0.500  1.0
  Sr  Sr8  1  0.500  0.500  1.000  1.0
  Ti  Ti9  1  1.000  0.500  0.500  1.0
[/CIF]
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