Ho2SeOF2 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 4-coordinate geometry to four equivalent Se(1), three equivalent O(1), and one F(2) atom. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(1), three equivalent F(1), and three equivalent F(2) atoms. Se(1) is bonded to two equivalent Ho(2) and four equivalent Ho(1) atoms to form distorted SeHo6 pentagonal pyramids that share corners with four equivalent Se(1)Ho6 pentagonal pyramids, corners with four equivalent F(2)Ho4 tetrahedra, corners with six equivalent O(1)Ho4 tetrahedra, edges with two equivalent Se(1)Ho6 pentagonal pyramids, edges with three equivalent F(2)Ho4 tetrahedra, edges with four equivalent O(1)Ho4 tetrahedra, and faces with two equivalent Se(1)Ho6 pentagonal pyramids. O(1) is bonded to one Ho(2) and three equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with six equivalent Se(1)Ho6 pentagonal pyramids, corners with two equivalent O(1)Ho4 tetrahedra, corners with two equivalent F(2)Ho4 tetrahedra, edges with four equivalent Se(1)Ho6 pentagonal pyramids, edges with two equivalent O(1)Ho4 tetrahedra, and edges with two equivalent F(2)Ho4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ho(2) atoms. In the second F site, F(2) is bonded to one Ho(1) and three equivalent Ho(2) atoms to form FHo4 tetrahedra that share corners with four equivalent Se(1)Ho6 pentagonal pyramids, corners with two equivalent O(1)Ho4 tetrahedra, corners with six equivalent F(2)Ho4 tetrahedra, edges with three equivalent Se(1)Ho6 pentagonal pyramids, and edges with two equivalent O(1)Ho4 tetrahedra.
Ho2SeOF2 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 4-coordinate geometry to four equivalent Se(1), three equivalent O(1), and one F(2) atom. There are two shorter (3.02 Å) and two longer (3.04 Å) Ho(1)-Se(1) bond lengths. There is one shorter (2.25 Å) and two longer (2.26 Å) Ho(1)-O(1) bond lengths. The Ho(1)-F(2) bond length is 2.42 Å. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(1), three equivalent F(1), and three equivalent F(2) atoms. Both Ho(2)-Se(1) bond lengths are 3.05 Å. The Ho(2)-O(1) bond length is 2.27 Å. There is one shorter (2.35 Å) and two longer (2.40 Å) Ho(2)-F(1) bond lengths. There are two shorter (2.35 Å) and one longer (2.42 Å) Ho(2)-F(2) bond length. Se(1) is bonded to two equivalent Ho(2) and four equivalent Ho(1) atoms to form distorted SeHo6 pentagonal pyramids that share corners with four equivalent Se(1)Ho6 pentagonal pyramids, corners with four equivalent F(2)Ho4 tetrahedra, corners with six equivalent O(1)Ho4 tetrahedra, edges with two equivalent Se(1)Ho6 pentagonal pyramids, edges with three equivalent F(2)Ho4 tetrahedra, edges with four equivalent O(1)Ho4 tetrahedra, and faces with two equivalent Se(1)Ho6 pentagonal pyramids. O(1) is bonded to one Ho(2) and three equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with six equivalent Se(1)Ho6 pentagonal pyramids, corners with two equivalent O(1)Ho4 tetrahedra, corners with two equivalent F(2)Ho4 tetrahedra, edges with four equivalent Se(1)Ho6 pentagonal pyramids, edges with two equivalent O(1)Ho4 tetrahedra, and edges with two equivalent F(2)Ho4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Ho(2) atoms. In the second F site, F(2) is bonded to one Ho(1) and three equivalent Ho(2) atoms to form FHo4 tetrahedra that share corners with four equivalent Se(1)Ho6 pentagonal pyramids, corners with two equivalent O(1)Ho4 tetrahedra, corners with six equivalent F(2)Ho4 tetrahedra, edges with three equivalent Se(1)Ho6 pentagonal pyramids, and edges with two equivalent O(1)Ho4 tetrahedra.