The material structure described by Sr2TiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra,  a faceface with one Mn(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to six equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) 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), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.833
_cell_length_b   7.833
_cell_length_c   7.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.582
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.248  0.248  0.248  1.0
  Sr  Sr1  1  0.248  0.248  0.752  1.0
  Sr  Sr2  1  0.248  0.752  0.248  1.0
  Sr  Sr3  1  0.248  0.752  0.752  1.0
  Sr  Sr4  1  0.752  0.248  0.248  1.0
  Sr  Sr5  1  0.752  0.248  0.752  1.0
  Sr  Sr6  1  0.752  0.752  0.248  1.0
  Sr  Sr7  1  0.752  0.752  0.752  1.0
  Ti  Ti8  1  0.000  0.500  0.500  1.0
  Ti  Ti9  1  0.500  0.000  0.500  1.0
  Ti  Ti10  1  0.500  0.500  0.000  1.0
  Ti  Ti11  1  0.500  0.500  0.500  1.0
  Mn  Mn12  1  0.000  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.500  1.0
  Mn  Mn14  1  0.000  0.500  0.000  1.0
  Mn  Mn15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.251  0.000  0.000  1.0
  O  O17  1  0.248  0.000  0.500  1.0
  O  O18  1  0.248  0.500  0.000  1.0
  O  O19  1  0.250  0.500  0.500  1.0
  O  O20  1  0.749  0.000  0.000  1.0
  O  O21  1  0.752  0.000  0.500  1.0
  O  O22  1  0.752  0.500  0.000  1.0
  O  O23  1  0.750  0.500  0.500  1.0
  O  O24  1  0.000  0.251  0.000  1.0
  O  O25  1  0.000  0.248  0.500  1.0
  O  O26  1  0.000  0.749  0.000  1.0
  O  O27  1  0.000  0.752  0.500  1.0
  O  O28  1  0.500  0.248  0.000  1.0
  O  O29  1  0.500  0.250  0.500  1.0
  O  O30  1  0.500  0.752  0.000  1.0
  O  O31  1  0.500  0.750  0.500  1.0
  O  O32  1  0.000  0.000  0.251  1.0
  O  O33  1  0.000  0.000  0.749  1.0
  O  O34  1  0.000  0.500  0.248  1.0
  O  O35  1  0.000  0.500  0.752  1.0
  O  O36  1  0.500  0.000  0.248  1.0
  O  O37  1  0.500  0.000  0.752  1.0
  O  O38  1  0.500  0.500  0.250  1.0
  O  O39  1  0.500  0.500  0.750  1.0
[/CIF]
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The material structure described by Sr2TiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra,  a faceface with one Mn(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to six equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) 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), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2TiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.833
_cell_length_b   7.833
_cell_length_c   7.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.582
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.248  0.248  0.248  1.0
  Sr  Sr1  1  0.248  0.248  0.752  1.0
  Sr  Sr2  1  0.248  0.752  0.248  1.0
  Sr  Sr3  1  0.248  0.752  0.752  1.0
  Sr  Sr4  1  0.752  0.248  0.248  1.0
  Sr  Sr5  1  0.752  0.248  0.752  1.0
  Sr  Sr6  1  0.752  0.752  0.248  1.0
  Sr  Sr7  1  0.752  0.752  0.752  1.0
  Ti  Ti8  1  0.000  0.500  0.500  1.0
  Ti  Ti9  1  0.500  0.000  0.500  1.0
  Ti  Ti10  1  0.500  0.500  0.000  1.0
  Ti  Ti11  1  0.500  0.500  0.500  1.0
  Mn  Mn12  1  0.000  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.500  1.0
  Mn  Mn14  1  0.000  0.500  0.000  1.0
  Mn  Mn15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.251  0.000  0.000  1.0
  O  O17  1  0.248  0.000  0.500  1.0
  O  O18  1  0.248  0.500  0.000  1.0
  O  O19  1  0.250  0.500  0.500  1.0
  O  O20  1  0.749  0.000  0.000  1.0
  O  O21  1  0.752  0.000  0.500  1.0
  O  O22  1  0.752  0.500  0.000  1.0
  O  O23  1  0.750  0.500  0.500  1.0
  O  O24  1  0.000  0.251  0.000  1.0
  O  O25  1  0.000  0.248  0.500  1.0
  O  O26  1  0.000  0.749  0.000  1.0
  O  O27  1  0.000  0.752  0.500  1.0
  O  O28  1  0.500  0.248  0.000  1.0
  O  O29  1  0.500  0.250  0.500  1.0
  O  O30  1  0.500  0.752  0.000  1.0
  O  O31  1  0.500  0.750  0.500  1.0
  O  O32  1  0.000  0.000  0.251  1.0
  O  O33  1  0.000  0.000  0.749  1.0
  O  O34  1  0.000  0.500  0.248  1.0
  O  O35  1  0.000  0.500  0.752  1.0
  O  O36  1  0.500  0.000  0.248  1.0
  O  O37  1  0.500  0.000  0.752  1.0
  O  O38  1  0.500  0.500  0.250  1.0
  O  O39  1  0.500  0.500  0.750  1.0
[/CIF]
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