HoSe2 crystallizes in the tetragonal P4/nmm space group. Ho(1) is bonded in a 9-coordinate geometry to four equivalent Se(2) and five equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to five equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing SeHo5 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent Ho(1) and four equivalent Se(2) atoms.
HoSe2 crystallizes in the tetragonal P4/nmm space group. Ho(1) is bonded in a 9-coordinate geometry to four equivalent Se(2) and five equivalent Se(1) atoms. All Ho(1)-Se(2) bond lengths are 3.03 Å. There is one shorter (2.95 Å) and four longer (2.97 Å) Ho(1)-Se(1) bond lengths. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to five equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing SeHo5 trigonal bipyramids. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent Ho(1) and four equivalent Se(2) atoms. All Se(2)-Se(2) bond lengths are 2.86 Å.