InOF crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. In the third In site, In(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 octahedra. In the fourth In site, In(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the fourth O site, O(4) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one In(1) and one In(3) atom. In the second F site, F(2) is bonded in a linear geometry to one In(2) and one In(4) atom. In the third F site, F(3) is bonded in a linear geometry to one In(1) and one In(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one In(2) and one In(4) atom.
InOF crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The In(1)-O(1) bond length is 2.22 Å. The In(1)-O(2) bond length is 2.13 Å. The In(1)-O(3) bond length is 2.23 Å. The In(1)-O(4) bond length is 2.17 Å. The In(1)-F(1) bond length is 2.15 Å. The In(1)-F(3) bond length is 2.10 Å. In the second In site, In(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. The In(2)-O(1) bond length is 2.25 Å. The In(2)-O(2) bond length is 2.11 Å. The In(2)-O(3) bond length is 2.19 Å. The In(2)-O(4) bond length is 2.17 Å. The In(2)-F(2) bond length is 2.17 Å. The In(2)-F(4) bond length is 2.14 Å. In the third In site, In(3) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form a mixture of distorted corner and edge-sharing InO4F2 octahedra. The In(3)-O(1) bond length is 2.16 Å. The In(3)-O(2) bond length is 2.25 Å. The In(3)-O(3) bond length is 2.26 Å. The In(3)-O(4) bond length is 2.26 Å. The In(3)-F(1) bond length is 2.22 Å. The In(3)-F(3) bond length is 2.17 Å. In the fourth In site, In(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(4) atom to form a mixture of distorted corner and edge-sharing InO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 65-67°. The In(4)-O(1) bond length is 2.21 Å. The In(4)-O(2) bond length is 2.22 Å. The In(4)-O(3) bond length is 2.26 Å. The In(4)-O(4) bond length is 2.17 Å. The In(4)-F(2) bond length is 2.19 Å. The In(4)-F(4) bond length is 2.18 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the fourth O site, O(4) is bonded to one In(1), one In(2), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OIn4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one In(1) and one In(3) atom. In the second F site, F(2) is bonded in a linear geometry to one In(2) and one In(4) atom. In the third F site, F(3) is bonded in a linear geometry to one In(1) and one In(3) atom. In the fourth F site, F(4) is bonded in a linear geometry to one In(2) and one In(4) atom.