SrCa(FeO3)4 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Ca(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Sr(1), one Ca(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ca(1) and two equivalent Fe(1) atoms.
SrCa(FeO3)4 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.70 Å. All Sr(1)-O(1) bond lengths are 2.74 Å. Ca(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Ca(1)-O(3) bond lengths are 2.70 Å. All Ca(1)-O(1) bond lengths are 2.68 Å. Fe(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Fe(1)-O(2) bond length is 1.93 Å. The Fe(1)-O(3) bond length is 1.92 Å. All Fe(1)-O(1) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Sr(1), one Ca(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ca(1) and two equivalent Fe(1) atoms.