SrFeBi2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. Fe(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, and faces with four equivalent Bi(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(4), and four equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Bi site, Bi(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. In the third Bi site, Bi(3) is bonded to four equivalent O(5) and eight equivalent O(1) atoms to form BiO12 cuboctahedra that share corners with four equivalent Bi(3)O12 cuboctahedra, faces with four equivalent Bi(3)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Fe(1), and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form OBi6 octahedra that share corners with two equivalent O(4)Sr4FeBi octahedra, corners with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(2)Bi6 octahedra, and edges with eight equivalent O(3)SrBi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Sr(1), one Bi(2), and four equivalent Bi(1) atoms to form OSrBi5 octahedra that share corners with five equivalent O(3)SrBi5 octahedra, edges with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Bi(1) atom to form distorted OSr4FeBi octahedra that share  a cornercorner with one O(2)Bi6 octahedra, corners with four equivalent O(4)Sr4FeBi octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Bi(3) atoms.
SrFeBi2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. The Sr(1)-O(3) bond length is 2.72 Å. All Sr(1)-O(1) bond lengths are 2.62 Å. All Sr(1)-O(4) bond lengths are 2.77 Å. Fe(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, and faces with four equivalent Bi(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. The Fe(1)-O(4) bond length is 2.22 Å. The Fe(1)-O(5) bond length is 2.00 Å. All Fe(1)-O(1) bond lengths are 1.93 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(4), and four equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Bi(1)-O(2) bond length is 2.55 Å. The Bi(1)-O(4) bond length is 2.22 Å. All Bi(1)-O(3) bond lengths are 2.73 Å. In the second Bi site, Bi(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. Both Bi(2)-O(3) bond lengths are 2.50 Å. All Bi(2)-O(2) bond lengths are 2.73 Å. In the third Bi site, Bi(3) is bonded to four equivalent O(5) and eight equivalent O(1) atoms to form BiO12 cuboctahedra that share corners with four equivalent Bi(3)O12 cuboctahedra, faces with four equivalent Bi(3)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Bi(3)-O(5) bond lengths are 2.73 Å. All Bi(3)-O(1) bond lengths are 2.77 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Fe(1), and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form OBi6 octahedra that share corners with two equivalent O(4)Sr4FeBi octahedra, corners with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(2)Bi6 octahedra, and edges with eight equivalent O(3)SrBi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Sr(1), one Bi(2), and four equivalent Bi(1) atoms to form OSrBi5 octahedra that share corners with five equivalent O(3)SrBi5 octahedra, edges with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Bi(1) atom to form distorted OSr4FeBi octahedra that share  a cornercorner with one O(2)Bi6 octahedra, corners with four equivalent O(4)Sr4FeBi octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Bi(3) atoms.