The material described by Sr5Ti4FeO15 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(4), two equivalent O(2), two equivalent O(6), three equivalent O(3), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)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,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Fe(1) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with eight equivalent O(6)Sr4TiFe octahedra, edges with four equivalent O(4)Sr4TiFe octahedra, and faces with four equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(3), three equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ti(2), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with four equivalent O(4)Sr4TiFe octahedra, corners with six equivalent O(6)Sr4TiFe octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, and faces with four equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. 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), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ti(1), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with three equivalent O(4)Sr4TiFe octahedra, corners with three equivalent O(6)Sr4TiFe octahedra,  an edgeedge with one O(6)Sr4TiFe octahedra,  a faceface with one O(1)Sr4Ti2 octahedra, faces with two equivalent O(4)Sr4TiFe octahedra, and faces with three equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr5Ti4FeO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.549
_cell_length_b   6.834
_cell_length_c   8.871
_cell_angle_alpha   74.442
_cell_angle_beta   71.775
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.496
_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
  Fe  Fe0  1  0.600  0.900  0.800  1.0
  O  O1  1  0.100  0.400  0.800  1.0
  O  O2  1  0.100  0.900  0.300  1.0
  O  O3  1  0.600  0.900  0.300  1.0
  O  O4  1  0.298  0.196  0.405  1.0
  O  O5  1  0.902  0.604  0.195  1.0
  O  O6  1  0.703  0.793  0.594  1.0
  O  O7  1  0.497  0.007  0.006  1.0
  O  O8  1  0.500  0.495  0.498  1.0
  O  O9  1  0.700  0.305  0.102  1.0
  O  O10  1  0.001  0.495  0.498  1.0
  O  O11  1  0.198  0.305  0.102  1.0
  O  O12  1  0.894  0.095  0.703  1.0
  O  O13  1  0.306  0.705  0.897  1.0
  O  O14  1  0.403  0.095  0.703  1.0
  O  O15  1  0.797  0.705  0.897  1.0
  Sr  Sr16  1  0.600  0.400  0.800  1.0
  Sr  Sr17  1  0.798  0.200  0.403  1.0
  Sr  Sr18  1  0.402  0.600  0.197  1.0
  Sr  Sr19  1  0.197  0.803  0.606  1.0
  Sr  Sr20  1  0.003  0.997  0.994  1.0
  Ti  Ti21  1  0.998  0.495  0.005  1.0
  Ti  Ti22  1  0.202  0.305  0.595  1.0
  Ti  Ti23  1  0.401  0.094  0.198  1.0
  Ti  Ti24  1  0.799  0.706  0.402  1.0
[/CIF]
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The material described by Sr5Ti4FeO15 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(4), two equivalent O(2), two equivalent O(6), three equivalent O(3), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)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,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with five equivalent Sr(2)O12 cuboctahedra, corners with five equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Fe(1) is bonded to two equivalent O(4) and four equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with eight equivalent O(6)Sr4TiFe octahedra, edges with four equivalent O(4)Sr4TiFe octahedra, and faces with four equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(3), three equivalent Sr(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ti(2), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with four equivalent O(4)Sr4TiFe octahedra, corners with six equivalent O(6)Sr4TiFe octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, and faces with four equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. 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), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Ti(1), and one Fe(1) atom to form distorted OSr4TiFe octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with three equivalent O(4)Sr4TiFe octahedra, corners with three equivalent O(6)Sr4TiFe octahedra,  an edgeedge with one O(6)Sr4TiFe octahedra,  a faceface with one O(1)Sr4Ti2 octahedra, faces with two equivalent O(4)Sr4TiFe octahedra, and faces with three equivalent O(6)Sr4TiFe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_Sr5Ti4FeO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.549
_cell_length_b   6.834
_cell_length_c   8.871
_cell_angle_alpha   74.442
_cell_angle_beta   71.775
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.496
_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
  Fe  Fe0  1  0.600  0.900  0.800  1.0
  O  O1  1  0.100  0.400  0.800  1.0
  O  O2  1  0.100  0.900  0.300  1.0
  O  O3  1  0.600  0.900  0.300  1.0
  O  O4  1  0.298  0.196  0.405  1.0
  O  O5  1  0.902  0.604  0.195  1.0
  O  O6  1  0.703  0.793  0.594  1.0
  O  O7  1  0.497  0.007  0.006  1.0
  O  O8  1  0.500  0.495  0.498  1.0
  O  O9  1  0.700  0.305  0.102  1.0
  O  O10  1  0.001  0.495  0.498  1.0
  O  O11  1  0.198  0.305  0.102  1.0
  O  O12  1  0.894  0.095  0.703  1.0
  O  O13  1  0.306  0.705  0.897  1.0
  O  O14  1  0.403  0.095  0.703  1.0
  O  O15  1  0.797  0.705  0.897  1.0
  Sr  Sr16  1  0.600  0.400  0.800  1.0
  Sr  Sr17  1  0.798  0.200  0.403  1.0
  Sr  Sr18  1  0.402  0.600  0.197  1.0
  Sr  Sr19  1  0.197  0.803  0.606  1.0
  Sr  Sr20  1  0.003  0.997  0.994  1.0
  Ti  Ti21  1  0.998  0.495  0.005  1.0
  Ti  Ti22  1  0.202  0.305  0.595  1.0
  Ti  Ti23  1  0.401  0.094  0.198  1.0
  Ti  Ti24  1  0.799  0.706  0.402  1.0
[/CIF]
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