DyScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Dy sites. In the first Dy site, Dy(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 Dy site, Dy(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 Dy site, Dy(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 Dy site, Dy(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 DySi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Dy(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(3), 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 Dy(2), one Dy(4), two equivalent Dy(1), two equivalent Dy(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 Dy(2), two equivalent Dy(1), two equivalent Dy(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(1), two equivalent Dy(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(2), two equivalent Dy(3), and four equivalent Sc(1) atoms.
DyScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Dy sites. In the first Dy site, Dy(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 (3.09 Å) and one longer (3.10 Å) Dy(1)-Sc(2) bond length. The Dy(1)-Si(2) bond length is 2.82 Å. Both Dy(1)-Si(1) bond lengths are 2.88 Å. Both Dy(1)-Si(3) bond lengths are 3.26 Å. In the second Dy site, Dy(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 Dy(2)-Sc(2) bond lengths are 2.86 Å. All Dy(2)-Sc(1) bond lengths are 3.23 Å. The Dy(2)-Si(2) bond length is 2.83 Å. Both Dy(2)-Si(1) bond lengths are 2.87 Å. Both Dy(2)-Si(4) bond lengths are 3.21 Å. In the third Dy site, Dy(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 Dy(3)-Sc(2) bond lengths are 3.19 Å. The Dy(3)-Si(4) bond length is 3.22 Å. Both Dy(3)-Si(1) bond lengths are 2.80 Å. There is one shorter (2.87 Å) and one longer (3.29 Å) Dy(3)-Si(3) bond length. In the fourth Dy site, Dy(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 DySi7 pentagonal bipyramids. The Dy(4)-Si(4) bond length is 3.12 Å. Both Dy(4)-Si(1) bond lengths are 3.11 Å. Both Dy(4)-Si(2) bond lengths are 3.31 Å. Both Dy(4)-Si(3) bond lengths are 2.96 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Dy(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. The Sc(1)-Si(2) bond length is 2.93 Å. The Sc(1)-Si(4) bond length is 2.84 Å. There is one shorter (3.06 Å) and one longer (3.27 Å) Sc(1)-Si(3) bond length. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(3), and two equivalent Si(1) atoms. Both Sc(2)-Si(1) bond lengths are 3.12 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Dy(2), one Dy(4), two equivalent Dy(1), two equivalent Dy(3), two equivalent Sc(2), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.34 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Dy(2), two equivalent Dy(1), two equivalent Dy(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(1), two equivalent Dy(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Dy(4), two equivalent Dy(2), two equivalent Dy(3), and four equivalent Sc(1) atoms.