The crystal structure described by Sr2TiFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(9), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(10), two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Fe site, Fe(2) is bonded to one O(7), one O(8), two equivalent O(10), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with two equivalent O(6)Sr4Fe2 octahedra, corners with two equivalent O(7)Sr4Fe2 octahedra, corners with two equivalent O(9)Sr4Fe2 octahedra, corners with three equivalent O(1)Sr4TiFe octahedra, edges with three equivalent O(1)Sr4TiFe octahedra,  a faceface with one O(6)Sr4Fe2 octahedra,  a faceface with one O(7)Sr4Fe2 octahedra, and faces with two equivalent O(9)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Ti(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(7)Sr4Fe2 octahedra, corners with eight equivalent O(1)Sr4TiFe octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with four equivalent O(9)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra,  a cornercorner with one O(8)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra, edges with two equivalent O(7)Sr4Fe2 octahedra, faces with two equivalent O(10)Sr4Fe2 octahedra, faces with two equivalent O(9)Sr4Fe2 octahedra, and faces with two equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the eighth O site, O(8) is bonded to four equivalent Sr(3) and two equivalent Fe(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(9)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(7)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 2-59°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Sr4Fe2 octahedra, faces with two equivalent O(7)Sr4Fe2 octahedra, and faces with two equivalent O(8)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Sr2TiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   11.158
_cell_length_c   11.158
_cell_angle_alpha   89.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.340
_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  0.500  0.503  0.753  1.0
  Sr  Sr1  1  0.500  0.254  0.001  1.0
  Sr  Sr2  1  0.500  0.751  0.504  1.0
  Sr  Sr3  1  0.500  0.003  0.253  1.0
  Sr  Sr4  1  0.500  0.747  0.997  1.0
  Sr  Sr5  1  0.500  0.499  0.246  1.0
  Sr  Sr6  1  0.500  0.996  0.749  1.0
  Sr  Sr7  1  0.500  0.247  0.497  1.0
  Ti  Ti8  1  1.000  0.248  0.748  1.0
  Ti  Ti9  1  0.000  0.001  0.002  1.0
  Ti  Ti10  1  0.000  0.498  0.499  1.0
  Ti  Ti11  1  0.000  0.752  0.252  1.0
  Fe  Fe12  1  1.000  0.750  0.750  1.0
  Fe  Fe13  1  0.000  0.001  0.499  1.0
  Fe  Fe14  1  0.000  0.500  1.000  1.0
  Fe  Fe15  1  0.000  0.249  0.251  1.0
  O  O16  1  1.000  0.377  0.883  1.0
  O  O17  1  0.000  0.117  0.123  1.0
  O  O18  1  1.000  0.633  0.627  1.0
  O  O19  1  0.000  0.873  0.367  1.0
  O  O20  1  0.000  0.617  0.123  1.0
  O  O21  1  0.000  0.377  0.383  1.0
  O  O22  1  1.000  0.873  0.867  1.0
  O  O23  1  1.000  0.133  0.627  1.0
  O  O24  1  1.000  0.382  0.632  1.0
  O  O25  1  1.000  0.125  0.875  1.0
  O  O26  1  1.000  0.625  0.375  1.0
  O  O27  1  0.000  0.868  0.118  1.0
  O  O28  1  0.500  0.255  0.755  1.0
  O  O29  1  0.500  0.995  0.995  1.0
  O  O30  1  0.500  0.505  0.505  1.0
  O  O31  1  0.500  0.745  0.245  1.0
  O  O32  1  1.000  0.625  0.875  1.0
  O  O33  1  0.000  0.372  0.128  1.0
  O  O34  1  0.000  0.878  0.622  1.0
  O  O35  1  0.000  0.125  0.375  1.0
  O  O36  1  0.500  0.498  0.002  1.0
  O  O37  1  0.500  0.249  0.251  1.0
  O  O38  1  0.500  0.752  0.748  1.0
  O  O39  1  0.500  0.001  0.499  1.0
[/CIF]
.
The crystal structure described by Sr2TiFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(9), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(10), two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(2)O6 octahedra. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Fe site, Fe(2) is bonded to one O(7), one O(8), two equivalent O(10), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with two equivalent O(6)Sr4Fe2 octahedra, corners with two equivalent O(7)Sr4Fe2 octahedra, corners with two equivalent O(9)Sr4Fe2 octahedra, corners with three equivalent O(1)Sr4TiFe octahedra, edges with three equivalent O(1)Sr4TiFe octahedra,  a faceface with one O(6)Sr4Fe2 octahedra,  a faceface with one O(7)Sr4Fe2 octahedra, and faces with two equivalent O(9)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Ti(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(2) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(7)Sr4Fe2 octahedra, corners with eight equivalent O(1)Sr4TiFe octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with four equivalent O(9)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to four equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra,  a cornercorner with one O(8)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra, edges with two equivalent O(7)Sr4Fe2 octahedra, faces with two equivalent O(10)Sr4Fe2 octahedra, faces with two equivalent O(9)Sr4Fe2 octahedra, and faces with two equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the eighth O site, O(8) is bonded to four equivalent Sr(3) and two equivalent Fe(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(9)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Sr4Fe2 octahedra, faces with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(7)Sr4Fe2 octahedra, and faces with four equivalent O(1)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 2-59°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Fe(2) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(10)Sr4Fe2 octahedra, corners with four equivalent O(1)Sr4TiFe octahedra,  an edgeedge with one O(10)Sr4Fe2 octahedra,  an edgeedge with one O(9)Sr4Fe2 octahedra, faces with two equivalent O(7)Sr4Fe2 octahedra, and faces with two equivalent O(8)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Sr2TiFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.922
_cell_length_b   11.158
_cell_length_c   11.158
_cell_angle_alpha   89.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.340
_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  0.500  0.503  0.753  1.0
  Sr  Sr1  1  0.500  0.254  0.001  1.0
  Sr  Sr2  1  0.500  0.751  0.504  1.0
  Sr  Sr3  1  0.500  0.003  0.253  1.0
  Sr  Sr4  1  0.500  0.747  0.997  1.0
  Sr  Sr5  1  0.500  0.499  0.246  1.0
  Sr  Sr6  1  0.500  0.996  0.749  1.0
  Sr  Sr7  1  0.500  0.247  0.497  1.0
  Ti  Ti8  1  1.000  0.248  0.748  1.0
  Ti  Ti9  1  0.000  0.001  0.002  1.0
  Ti  Ti10  1  0.000  0.498  0.499  1.0
  Ti  Ti11  1  0.000  0.752  0.252  1.0
  Fe  Fe12  1  1.000  0.750  0.750  1.0
  Fe  Fe13  1  0.000  0.001  0.499  1.0
  Fe  Fe14  1  0.000  0.500  1.000  1.0
  Fe  Fe15  1  0.000  0.249  0.251  1.0
  O  O16  1  1.000  0.377  0.883  1.0
  O  O17  1  0.000  0.117  0.123  1.0
  O  O18  1  1.000  0.633  0.627  1.0
  O  O19  1  0.000  0.873  0.367  1.0
  O  O20  1  0.000  0.617  0.123  1.0
  O  O21  1  0.000  0.377  0.383  1.0
  O  O22  1  1.000  0.873  0.867  1.0
  O  O23  1  1.000  0.133  0.627  1.0
  O  O24  1  1.000  0.382  0.632  1.0
  O  O25  1  1.000  0.125  0.875  1.0
  O  O26  1  1.000  0.625  0.375  1.0
  O  O27  1  0.000  0.868  0.118  1.0
  O  O28  1  0.500  0.255  0.755  1.0
  O  O29  1  0.500  0.995  0.995  1.0
  O  O30  1  0.500  0.505  0.505  1.0
  O  O31  1  0.500  0.745  0.245  1.0
  O  O32  1  1.000  0.625  0.875  1.0
  O  O33  1  0.000  0.372  0.128  1.0
  O  O34  1  0.000  0.878  0.622  1.0
  O  O35  1  0.000  0.125  0.375  1.0
  O  O36  1  0.500  0.498  0.002  1.0
  O  O37  1  0.500  0.249  0.251  1.0
  O  O38  1  0.500  0.752  0.748  1.0
  O  O39  1  0.500  0.001  0.499  1.0
[/CIF]
.