(Sr3Sc2O5)Fe2As2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, 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, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Sc(1)AsO5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Sc(1) is bonded to one As(1), one O(2), and four equivalent O(1) atoms to form ScAsO5 square pyramids that share corners with five equivalent Sc(1)AsO5 square pyramids, corners with four equivalent Fe(1)As4 tetrahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. Fe(1) is bonded to four equivalent As(1) atoms to form distorted FeAs4 tetrahedra that share corners with four equivalent Sc(1)AsO5 square pyramids, corners with four equivalent Fe(1)As4 tetrahedra, and edges with four equivalent Fe(1)As4 tetrahedra. As(1) is bonded in a 9-coordinate geometry to four equivalent Sr(2), one Sc(1), and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Sc(1) atoms.
(Sr3Sc2O5)Fe2As2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, 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, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Sc(1)AsO5 square pyramids. All Sr(1)-O(2) bond lengths are 2.93 Å. All Sr(1)-O(1) bond lengths are 3.05 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. All Sr(2)-As(1) bond lengths are 3.36 Å. All Sr(2)-O(1) bond lengths are 2.57 Å. Sc(1) is bonded to one As(1), one O(2), and four equivalent O(1) atoms to form ScAsO5 square pyramids that share corners with five equivalent Sc(1)AsO5 square pyramids, corners with four equivalent Fe(1)As4 tetrahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The Sc(1)-As(1) bond length is 3.41 Å. The Sc(1)-O(2) bond length is 1.98 Å. All Sc(1)-O(1) bond lengths are 2.09 Å. Fe(1) is bonded to four equivalent As(1) atoms to form distorted FeAs4 tetrahedra that share corners with four equivalent Sc(1)AsO5 square pyramids, corners with four equivalent Fe(1)As4 tetrahedra, and edges with four equivalent Fe(1)As4 tetrahedra. All Fe(1)-As(1) bond lengths are 2.62 Å. As(1) is bonded in a 9-coordinate geometry to four equivalent Sr(2), one Sc(1), and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sc(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Sc(1) atoms.