HoScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Ho site, Ho(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Ho site, Ho(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Ho site, Ho(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing HoSi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Sc(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 11-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), four equivalent Sc(1), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ho(2), one Ho(4), two equivalent Ho(1), two equivalent Ho(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(1), two equivalent Ho(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(2), two equivalent Ho(3), and four equivalent Sc(1) atoms.
HoScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There is one shorter (3.06 Å) and one longer (3.13 Å) Ho(1)-Sc(2) bond length. The Ho(1)-Si(2) bond length is 2.82 Å. Both Ho(1)-Si(1) bond lengths are 2.84 Å. Both Ho(1)-Si(3) bond lengths are 3.25 Å. In the second Ho site, Ho(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. Both Ho(2)-Sc(2) bond lengths are 2.89 Å. All Ho(2)-Sc(1) bond lengths are 3.25 Å. The Ho(2)-Si(2) bond length is 2.82 Å. Both Ho(2)-Si(1) bond lengths are 2.84 Å. Both Ho(2)-Si(4) bond lengths are 3.19 Å. In the third Ho site, Ho(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. Both Ho(3)-Sc(2) bond lengths are 3.19 Å. The Ho(3)-Si(4) bond length is 3.17 Å. Both Ho(3)-Si(1) bond lengths are 2.79 Å. There is one shorter (2.88 Å) and one longer (3.28 Å) Ho(3)-Si(3) bond length. In the fourth Ho site, Ho(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing HoSi7 pentagonal bipyramids. The Ho(4)-Si(4) bond length is 3.12 Å. Both Ho(4)-Si(1) bond lengths are 3.09 Å. Both Ho(4)-Si(2) bond lengths are 3.29 Å. Both Ho(4)-Si(3) bond lengths are 2.97 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Sc(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. There is one shorter (3.25 Å) and one longer (3.36 Å) Sc(1)-Sc(2) bond length. The Sc(1)-Si(2) bond length is 2.92 Å. The Sc(1)-Si(4) bond length is 2.85 Å. There is one shorter (3.06 Å) and one longer (3.25 Å) Sc(1)-Si(3) bond length. In the second Sc site, Sc(2) is bonded in a 11-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), four equivalent Sc(1), and two equivalent Si(1) atoms. Both Sc(2)-Si(1) bond lengths are 3.21 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ho(2), one Ho(4), two equivalent Ho(1), two equivalent Ho(3), two equivalent Sc(2), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.37 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(1), two equivalent Ho(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(2), two equivalent Ho(3), and four equivalent Sc(1) atoms.