LaSrMnO4F crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form LaO8F4 cuboctahedra that share corners with four equivalent La(1)O8F4 cuboctahedra, edges with four equivalent La(1)O8F4 cuboctahedra, faces with four equivalent La(1)O8F4 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O8F4 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. F(1) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing FLa4 tetrahedra.
LaSrMnO4F crystallizes in the tetragonal P4/nmm space group. Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. All Sr(1)-O(3) bond lengths are 2.68 Å. There is one shorter (2.50 Å) and four longer (2.70 Å) Sr(1)-O(1) bond lengths. La(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form LaO8F4 cuboctahedra that share corners with four equivalent La(1)O8F4 cuboctahedra, edges with four equivalent La(1)O8F4 cuboctahedra, faces with four equivalent La(1)O8F4 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. All La(1)-O(2) bond lengths are 2.71 Å. All La(1)-O(3) bond lengths are 2.80 Å. All La(1)-F(1) bond lengths are 2.56 Å. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O8F4 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.88 Å. All Mn(1)-O(3) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent La(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. F(1) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing FLa4 tetrahedra.