Ni16AlSi9 is beta Plutonium-derived structured and crystallizes in the orthorhombic Ama2 space group. There are eleven inequivalent Ni sites. In the first Ni site, Ni(8) is bonded in a 12-coordinate geometry to one Ni(4), one Ni(9), two equivalent Ni(2), two equivalent Ni(6), one Al(1), one Si(5), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Ni site, Ni(9) is bonded in a 13-coordinate geometry to one Ni(10), one Ni(11), one Ni(7), one Ni(8), two equivalent Ni(2), two equivalent Ni(3), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. In the third Ni site, Ni(10) is bonded in a 1-coordinate geometry to one Ni(11), one Ni(9), two equivalent Ni(1), two equivalent Ni(3), one Al(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the fourth Ni site, Ni(11) is bonded in a 11-coordinate geometry to one Ni(10), one Ni(4), one Ni(9), two equivalent Ni(3), one Al(1), one Si(5), two equivalent Si(1), and two equivalent Si(4) atoms. In the fifth Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Ni(1), one Ni(10), one Ni(5), one Ni(7), two equivalent Ni(3), two equivalent Ni(6), one Al(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. In the sixth Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Ni(2), one Ni(6), one Ni(8), one Ni(9), two equivalent Ni(3), two equivalent Ni(5), one Si(2), one Si(4), one Si(5), and two equivalent Si(3) atoms. In the seventh Ni site, Ni(3) is bonded in a 15-coordinate geometry to one Ni(10), one Ni(11), one Ni(3), one Ni(5), one Ni(6), one Ni(9), two equivalent Ni(1), two equivalent Ni(2), one Si(1), one Si(3), one Si(4), and two equivalent Si(2) atoms. In the eighth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Ni(11), one Ni(7), one Ni(8), two equivalent Ni(5), two equivalent Ni(6), one Al(1), one Si(5), two equivalent Si(1), and two equivalent Si(2) atoms. In the ninth Ni site, Ni(5) is bonded in a 14-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Ni(7), two equivalent Ni(2), one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. In the tenth Ni site, Ni(6) is bonded in a 14-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Ni(8), two equivalent Ni(1), one Al(1), one Si(2), one Si(3), one Si(4), and two equivalent Si(1) atoms. In the eleventh Ni site, Ni(7) is bonded in a 4-coordinate geometry to one Ni(4), one Ni(9), two equivalent Ni(1), two equivalent Ni(5), one Al(1), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. Al(1) is bonded in a 6-coordinate geometry to one Ni(10), one Ni(11), one Ni(4), one Ni(7), one Ni(8), two equivalent Ni(1), two equivalent Ni(6), and two equivalent Si(1) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Ni(11), one Ni(3), one Ni(4), two equivalent Ni(5), two equivalent Ni(6), and one Al(1) atom. In the second Si site, Si(2) is bonded to one Ni(1), one Ni(10), one Ni(2), one Ni(4), one Ni(5), one Ni(6), one Ni(7), one Ni(8), one Ni(9), two equivalent Ni(3), and one Si(2) atom to form a mixture of distorted edge and face-sharing SiSiNi11 cuboctahedra. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(3), one Ni(5), one Ni(6), one Ni(7), one Ni(9), and two equivalent Ni(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ni(10), one Ni(11), one Ni(2), one Ni(3), one Ni(5), one Ni(6), one Ni(8), and two equivalent Ni(1) atoms. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(4), one Ni(7), one Ni(8), one Ni(9), two equivalent Ni(2), and two equivalent Ni(5) atoms.
Ni16AlSi9 is beta Plutonium-derived structured and crystallizes in the orthorhombic Ama2 space group. There are eleven inequivalent Ni sites. In the first Ni site, Ni(8) is bonded in a 12-coordinate geometry to one Ni(4), one Ni(9), two equivalent Ni(2), two equivalent Ni(6), one Al(1), one Si(5), two equivalent Si(2), and two equivalent Si(4) atoms. The Ni(8)-Ni(4) bond length is 2.61 Å. The Ni(8)-Ni(9) bond length is 2.65 Å. Both Ni(8)-Ni(2) bond lengths are 2.48 Å. Both Ni(8)-Ni(6) bond lengths are 2.63 Å. The Ni(8)-Al(1) bond length is 2.47 Å. The Ni(8)-Si(5) bond length is 2.33 Å. Both Ni(8)-Si(2) bond lengths are 2.55 Å. Both Ni(8)-Si(4) bond lengths are 2.34 Å. In the second Ni site, Ni(9) is bonded in a 13-coordinate geometry to one Ni(10), one Ni(11), one Ni(7), one Ni(8), two equivalent Ni(2), two equivalent Ni(3), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. The Ni(9)-Ni(10) bond length is 2.52 Å. The Ni(9)-Ni(11) bond length is 2.50 Å. The Ni(9)-Ni(7) bond length is 2.81 Å. Both Ni(9)-Ni(2) bond lengths are 2.56 Å. Both Ni(9)-Ni(3) bond lengths are 2.71 Å. The Ni(9)-Si(5) bond length is 2.31 Å. Both Ni(9)-Si(2) bond lengths are 2.55 Å. Both Ni(9)-Si(3) bond lengths are 2.34 Å. In the third Ni site, Ni(10) is bonded in a 1-coordinate geometry to one Ni(11), one Ni(9), two equivalent Ni(1), two equivalent Ni(3), one Al(1), two equivalent Si(2), and two equivalent Si(4) atoms. The Ni(10)-Ni(11) bond length is 2.37 Å. Both Ni(10)-Ni(1) bond lengths are 2.53 Å. Both Ni(10)-Ni(3) bond lengths are 2.74 Å. The Ni(10)-Al(1) bond length is 2.40 Å. Both Ni(10)-Si(2) bond lengths are 2.42 Å. Both Ni(10)-Si(4) bond lengths are 2.37 Å. In the fourth Ni site, Ni(11) is bonded in a 11-coordinate geometry to one Ni(10), one Ni(4), one Ni(9), two equivalent Ni(3), one Al(1), one Si(5), two equivalent Si(1), and two equivalent Si(4) atoms. The Ni(11)-Ni(4) bond length is 2.54 Å. Both Ni(11)-Ni(3) bond lengths are 2.68 Å. The Ni(11)-Al(1) bond length is 2.79 Å. The Ni(11)-Si(5) bond length is 2.51 Å. Both Ni(11)-Si(1) bond lengths are 2.20 Å. Both Ni(11)-Si(4) bond lengths are 2.68 Å. In the fifth Ni site, Ni(1) is bonded in a 13-coordinate geometry to one Ni(1), one Ni(10), one Ni(5), one Ni(7), two equivalent Ni(3), two equivalent Ni(6), one Al(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. The Ni(1)-Ni(1) bond length is 2.38 Å. The Ni(1)-Ni(5) bond length is 2.54 Å. The Ni(1)-Ni(7) bond length is 2.53 Å. There is one shorter (2.74 Å) and one longer (2.87 Å) Ni(1)-Ni(3) bond length. There is one shorter (2.72 Å) and one longer (2.88 Å) Ni(1)-Ni(6) bond length. The Ni(1)-Al(1) bond length is 2.57 Å. The Ni(1)-Si(2) bond length is 2.40 Å. The Ni(1)-Si(3) bond length is 2.30 Å. There is one shorter (2.36 Å) and one longer (2.43 Å) Ni(1)-Si(4) bond length. In the sixth Ni site, Ni(2) is bonded in a 13-coordinate geometry to one Ni(2), one Ni(6), one Ni(8), one Ni(9), two equivalent Ni(3), two equivalent Ni(5), one Si(2), one Si(4), one Si(5), and two equivalent Si(3) atoms. The Ni(2)-Ni(2) bond length is 2.40 Å. The Ni(2)-Ni(6) bond length is 2.57 Å. There is one shorter (2.78 Å) and one longer (2.87 Å) Ni(2)-Ni(3) bond length. There is one shorter (2.72 Å) and one longer (2.84 Å) Ni(2)-Ni(5) bond length. The Ni(2)-Si(2) bond length is 2.42 Å. The Ni(2)-Si(4) bond length is 2.34 Å. The Ni(2)-Si(5) bond length is 2.49 Å. There is one shorter (2.36 Å) and one longer (2.42 Å) Ni(2)-Si(3) bond length. In the seventh Ni site, Ni(3) is bonded in a 15-coordinate geometry to one Ni(10), one Ni(11), one Ni(3), one Ni(5), one Ni(6), one Ni(9), two equivalent Ni(1), two equivalent Ni(2), one Si(1), one Si(3), one Si(4), and two equivalent Si(2) atoms. The Ni(3)-Ni(3) bond length is 2.60 Å. The Ni(3)-Ni(5) bond length is 2.82 Å. The Ni(3)-Ni(6) bond length is 2.83 Å. The Ni(3)-Si(1) bond length is 2.48 Å. The Ni(3)-Si(3) bond length is 2.26 Å. The Ni(3)-Si(4) bond length is 2.26 Å. There is one shorter (2.45 Å) and one longer (2.63 Å) Ni(3)-Si(2) bond length. In the eighth Ni site, Ni(4) is bonded in a 13-coordinate geometry to one Ni(11), one Ni(7), one Ni(8), two equivalent Ni(5), two equivalent Ni(6), one Al(1), one Si(5), two equivalent Si(1), and two equivalent Si(2) atoms. The Ni(4)-Ni(7) bond length is 2.50 Å. Both Ni(4)-Ni(5) bond lengths are 2.67 Å. Both Ni(4)-Ni(6) bond lengths are 2.72 Å. The Ni(4)-Al(1) bond length is 2.34 Å. The Ni(4)-Si(5) bond length is 2.29 Å. Both Ni(4)-Si(1) bond lengths are 2.37 Å. Both Ni(4)-Si(2) bond lengths are 2.59 Å. In the ninth Ni site, Ni(5) is bonded in a 14-coordinate geometry to one Ni(1), one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Ni(7), two equivalent Ni(2), one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms. The Ni(5)-Ni(5) bond length is 2.66 Å. The Ni(5)-Ni(6) bond length is 2.63 Å. The Ni(5)-Ni(7) bond length is 2.64 Å. The Ni(5)-Si(2) bond length is 2.45 Å. The Ni(5)-Si(3) bond length is 2.33 Å. The Ni(5)-Si(4) bond length is 2.62 Å. The Ni(5)-Si(5) bond length is 2.82 Å. There is one shorter (2.29 Å) and one longer (2.34 Å) Ni(5)-Si(1) bond length. In the tenth Ni site, Ni(6) is bonded in a 14-coordinate geometry to one Ni(2), one Ni(3), one Ni(4), one Ni(5), one Ni(6), one Ni(8), two equivalent Ni(1), one Al(1), one Si(2), one Si(3), one Si(4), and two equivalent Si(1) atoms. The Ni(6)-Ni(6) bond length is 2.71 Å. The Ni(6)-Al(1) bond length is 2.80 Å. The Ni(6)-Si(2) bond length is 2.43 Å. The Ni(6)-Si(3) bond length is 2.57 Å. The Ni(6)-Si(4) bond length is 2.33 Å. There is one shorter (2.30 Å) and one longer (2.33 Å) Ni(6)-Si(1) bond length. In the eleventh Ni site, Ni(7) is bonded in a 4-coordinate geometry to one Ni(4), one Ni(9), two equivalent Ni(1), two equivalent Ni(5), one Al(1), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. The Ni(7)-Al(1) bond length is 2.39 Å. The Ni(7)-Si(5) bond length is 2.34 Å. Both Ni(7)-Si(2) bond lengths are 2.61 Å. Both Ni(7)-Si(3) bond lengths are 2.33 Å. Al(1) is bonded in a 6-coordinate geometry to one Ni(10), one Ni(11), one Ni(4), one Ni(7), one Ni(8), two equivalent Ni(1), two equivalent Ni(6), and two equivalent Si(1) atoms. Both Al(1)-Si(1) bond lengths are 2.83 Å. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Ni(11), one Ni(3), one Ni(4), two equivalent Ni(5), two equivalent Ni(6), and one Al(1) atom. In the second Si site, Si(2) is bonded to one Ni(1), one Ni(10), one Ni(2), one Ni(4), one Ni(5), one Ni(6), one Ni(7), one Ni(8), one Ni(9), two equivalent Ni(3), and one Si(2) atom to form a mixture of distorted edge and face-sharing SiSiNi11 cuboctahedra. The Si(2)-Si(2) bond length is 2.59 Å. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(3), one Ni(5), one Ni(6), one Ni(7), one Ni(9), and two equivalent Ni(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ni(10), one Ni(11), one Ni(2), one Ni(3), one Ni(5), one Ni(6), one Ni(8), and two equivalent Ni(1) atoms. In the fifth Si site, Si(5) is bonded in a 7-coordinate geometry to one Ni(11), one Ni(4), one Ni(7), one Ni(8), one Ni(9), two equivalent Ni(2), and two equivalent Ni(5) atoms.