The material structure described by BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded to one O(16), one O(17), one O(18), one O(19), two equivalent O(1), two equivalent O(14), two equivalent O(15), and two equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(6)O6 octahedra. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(18), one O(19), one O(22), one O(23), two equivalent O(15), two equivalent O(20), two equivalent O(3), and two equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, faces with two equivalent Fe(7)O6 octahedra, and faces with two equivalent Fe(8)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(16), one O(17), one O(24), one O(25), two equivalent O(14), two equivalent O(21), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(10)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(6)O6 octahedra, and faces with two equivalent Fe(9)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(12), one O(13), one O(22), one O(23), two equivalent O(11), two equivalent O(20), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(7)O6 octahedra, and faces with two equivalent Fe(8)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(12), one O(13), one O(24), one O(25), two equivalent O(10), two equivalent O(11), two equivalent O(21), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(10)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(9)O6 octahedra. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(7), one O(9), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(8), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Fe site, Fe(3) is bonded to one O(16), one O(17), one O(2), one O(5), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(18), one O(19), one O(3), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth Fe site, Fe(5) is bonded to one O(18), one O(19), one O(2), one O(4), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(16), one O(17), one O(6), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh Fe site, Fe(7) is bonded to one O(22), one O(23), one O(3), one O(7), and two equivalent O(20) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(8)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth Fe site, Fe(8) is bonded to one O(22), one O(23), one O(4), one O(8), and two equivalent O(20) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(7)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth Fe site, Fe(9) is bonded to one O(24), one O(25), one O(5), one O(9), and two equivalent O(21) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(10)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(24), one O(25), one O(6), and two equivalent O(21) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with four equivalent Fe(9)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Fe(4), and one Fe(6) atom to form distorted OBa4Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, and edges with four equivalent O(2)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Fe(3), and one Fe(5) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(5), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(2), one Fe(3), and one Fe(9) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(2), one Fe(10), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(1)Ba4Fe2 octahedra, corners with two equivalent O(24)Sr4Fe2 octahedra, corners with two equivalent O(25)Sr4Fe2 octahedra, corners with four equivalent O(21)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra,  a faceface with one O(24)Sr4Fe2 octahedra,  a faceface with one O(25)Sr4Fe2 octahedra, and faces with two equivalent O(21)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to four equivalent Sr(3), one Fe(1), and one Fe(7) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded to four equivalent Sr(3), one Fe(2), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the ninth O site, O(9) is bonded in a distorted linear geometry to four equivalent Sr(4), one Fe(1), and one Fe(9) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to four equivalent Sr(4), one Fe(10), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twelfth O site, O(12) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the nineteenth O site, O(19) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the twentieth O site, O(20) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-first O site, O(21) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twenty-second O site, O(22) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-third O site, O(23) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-fourth O site, O(24) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twenty-fifth O site, O(25) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr4(FeO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.939
_cell_length_c   19.841
_cell_angle_alpha   89.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.850
_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
  Ba  Ba0  1  0.500  0.500  0.100  1.0
  Fe  Fe1  1  1.000  1.000  0.600  1.0
  Fe  Fe2  1  1.000  0.000  0.996  1.0
  Fe  Fe3  1  0.000  1.000  0.203  1.0
  Fe  Fe4  1  1.000  0.000  0.402  1.0
  Fe  Fe5  1  1.000  0.000  0.798  1.0
  O  O6  1  0.000  0.000  0.103  1.0
  O  O7  1  0.000  0.000  0.303  1.0
  O  O8  1  0.000  0.999  0.894  1.0
  O  O9  1  0.000  1.000  0.501  1.0
  O  O10  1  0.000  1.000  0.700  1.0
  O  O11  1  0.500  0.000  0.601  1.0
  O  O12  1  1.000  0.500  0.601  1.0
  O  O13  1  0.500  0.000  0.994  1.0
  O  O14  1  0.500  1.000  0.206  1.0
  O  O15  1  0.000  0.500  0.994  1.0
  O  O16  1  0.000  0.500  0.206  1.0
  O  O17  1  0.500  0.000  0.402  1.0
  O  O18  1  0.500  0.000  0.797  1.0
  O  O19  1  0.000  0.500  0.402  1.0
  O  O20  1  0.000  0.500  0.797  1.0
  Sr  Sr21  1  0.500  0.500  0.303  1.0
  Sr  Sr22  1  0.500  0.500  0.897  1.0
  Sr  Sr23  1  0.500  0.500  0.501  1.0
  Sr  Sr24  1  0.500  0.500  0.699  1.0
[/CIF]
.
The material structure described by BaSr4(FeO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded to one O(16), one O(17), one O(18), one O(19), two equivalent O(1), two equivalent O(14), two equivalent O(15), and two equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, and faces with two equivalent Fe(6)O6 octahedra. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(18), one O(19), one O(22), one O(23), two equivalent O(15), two equivalent O(20), two equivalent O(3), and two equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(4)O6 octahedra, faces with two equivalent Fe(5)O6 octahedra, faces with two equivalent Fe(7)O6 octahedra, and faces with two equivalent Fe(8)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(16), one O(17), one O(24), one O(25), two equivalent O(14), two equivalent O(21), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Fe(10)O6 octahedra, faces with two equivalent Fe(3)O6 octahedra, faces with two equivalent Fe(6)O6 octahedra, and faces with two equivalent Fe(9)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(12), one O(13), one O(22), one O(23), two equivalent O(11), two equivalent O(20), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, faces with two equivalent Fe(7)O6 octahedra, and faces with two equivalent Fe(8)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(12), one O(13), one O(24), one O(25), two equivalent O(10), two equivalent O(11), two equivalent O(21), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(10)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(9)O6 octahedra. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(13), one O(7), one O(9), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(8), and two equivalent O(11) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Fe site, Fe(3) is bonded to one O(16), one O(17), one O(2), one O(5), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(9)O6 octahedra, corners with four equivalent Fe(6)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(18), one O(19), one O(3), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(6)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra, corners with four equivalent Fe(5)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth Fe site, Fe(5) is bonded to one O(18), one O(19), one O(2), one O(4), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(8)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(16), one O(17), one O(6), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(10)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh Fe site, Fe(7) is bonded to one O(22), one O(23), one O(3), one O(7), and two equivalent O(20) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with four equivalent Fe(8)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth Fe site, Fe(8) is bonded to one O(22), one O(23), one O(4), one O(8), and two equivalent O(20) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with four equivalent Fe(7)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the ninth Fe site, Fe(9) is bonded to one O(24), one O(25), one O(5), one O(9), and two equivalent O(21) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(10)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(24), one O(25), one O(6), and two equivalent O(21) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(6)O6 octahedra, corners with four equivalent Fe(9)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Fe(4), and one Fe(6) atom to form distorted OBa4Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra, corners with four equivalent O(1)Ba4Fe2 octahedra, and edges with four equivalent O(2)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Fe(3), and one Fe(5) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(4), and one Fe(7) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Fe(5), and one Fe(8) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Sr(2), one Fe(3), and one Fe(9) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(2), one Fe(10), and one Fe(6) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(1)Ba4Fe2 octahedra, corners with two equivalent O(24)Sr4Fe2 octahedra, corners with two equivalent O(25)Sr4Fe2 octahedra, corners with four equivalent O(21)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra,  a faceface with one O(24)Sr4Fe2 octahedra,  a faceface with one O(25)Sr4Fe2 octahedra, and faces with two equivalent O(21)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to four equivalent Sr(3), one Fe(1), and one Fe(7) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded to four equivalent Sr(3), one Fe(2), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the ninth O site, O(9) is bonded in a distorted linear geometry to four equivalent Sr(4), one Fe(1), and one Fe(9) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to four equivalent Sr(4), one Fe(10), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twelfth O site, O(12) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the thirteenth O site, O(13) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(2), one Fe(3), and one Fe(6) atom. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the nineteenth O site, O(19) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Fe(4), and one Fe(5) atom. In the twentieth O site, O(20) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-first O site, O(21) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twenty-second O site, O(22) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-third O site, O(23) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twenty-fourth O site, O(24) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the twenty-fifth O site, O(25) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Fe(10), and one Fe(9) atom to form a mixture of distorted edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr4(FeO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.939
_cell_length_c   19.841
_cell_angle_alpha   89.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.850
_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
  Ba  Ba0  1  0.500  0.500  0.100  1.0
  Fe  Fe1  1  1.000  1.000  0.600  1.0
  Fe  Fe2  1  1.000  0.000  0.996  1.0
  Fe  Fe3  1  0.000  1.000  0.203  1.0
  Fe  Fe4  1  1.000  0.000  0.402  1.0
  Fe  Fe5  1  1.000  0.000  0.798  1.0
  O  O6  1  0.000  0.000  0.103  1.0
  O  O7  1  0.000  0.000  0.303  1.0
  O  O8  1  0.000  0.999  0.894  1.0
  O  O9  1  0.000  1.000  0.501  1.0
  O  O10  1  0.000  1.000  0.700  1.0
  O  O11  1  0.500  0.000  0.601  1.0
  O  O12  1  1.000  0.500  0.601  1.0
  O  O13  1  0.500  0.000  0.994  1.0
  O  O14  1  0.500  1.000  0.206  1.0
  O  O15  1  0.000  0.500  0.994  1.0
  O  O16  1  0.000  0.500  0.206  1.0
  O  O17  1  0.500  0.000  0.402  1.0
  O  O18  1  0.500  0.000  0.797  1.0
  O  O19  1  0.000  0.500  0.402  1.0
  O  O20  1  0.000  0.500  0.797  1.0
  Sr  Sr21  1  0.500  0.500  0.303  1.0
  Sr  Sr22  1  0.500  0.500  0.897  1.0
  Sr  Sr23  1  0.500  0.500  0.501  1.0
  Sr  Sr24  1  0.500  0.500  0.699  1.0
[/CIF]
.