HoS2 crystallizes in the tetragonal P4/nmm space group. Ho(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Ho(1) and four equivalent S(1) atoms. In the second S site, S(2) is bonded to five equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing SHo5 trigonal bipyramids.
HoS2 crystallizes in the tetragonal P4/nmm space group. Ho(1) is bonded in a 9-coordinate geometry to four equivalent S(1) and five equivalent S(2) atoms. All Ho(1)-S(1) bond lengths are 2.89 Å. There are four shorter (2.82 Å) and one longer (2.83 Å) Ho(1)-S(2) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to four equivalent Ho(1) and four equivalent S(1) atoms. All S(1)-S(1) bond lengths are 2.71 Å. In the second S site, S(2) is bonded to five equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing SHo5 trigonal bipyramids.