Sr2FeO3Cl crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. Fe(1) is bonded to one O(1), four equivalent O(2), and one Cl(1) atom to form distorted corner-sharing FeClO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(2) and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with eight equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(1)Sr5Fe octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 19-55°. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Fe(1) atom.
Sr2FeO3Cl crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent Cl(1) atoms. All Sr(1)-O(2) bond lengths are 2.57 Å. There are four shorter (3.04 Å) and one longer (3.35 Å) Sr(1)-Cl(1) bond length. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. All Sr(2)-O(2) bond lengths are 2.79 Å. There is one shorter (2.47 Å) and four longer (2.83 Å) Sr(2)-O(1) bond lengths. Fe(1) is bonded to one O(1), four equivalent O(2), and one Cl(1) atom to form distorted corner-sharing FeClO5 square pyramids. The Fe(1)-O(1) bond length is 1.92 Å. All Fe(1)-O(2) bond lengths are 2.02 Å. The Fe(1)-Cl(1) bond length is 3.13 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(2) and one Fe(1) atom to form distorted OSr5Fe octahedra that share corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(2)Sr4Fe2 octahedra, edges with eight equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(1)Sr5Fe octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 19-55°. Cl(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Fe(1) atom.