Ni6SnSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sb(1)Ni12 cuboctahedra; corners with ten Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; and faces with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra. In the second Ni site, Ni(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sb(1)Ni12 cuboctahedra; corners with ten Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; and faces with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra. In the third Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sn(1)Ni12 cuboctahedra; corners with ten equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sb(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; and faces with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra. In the fourth Ni site, Ni(3) is bonded to four Ni(1,1); four equivalent Ni(2); two equivalent Sn(1); and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Sn(1)Ni12 cuboctahedra; edges with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sb(1)Ni12 cuboctahedra. In the fifth Ni site, Ni(4) is bonded to four Ni(1,1); four equivalent Ni(2); two equivalent Sn(1); and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Sb(1)Ni12 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra. Sn(1) is bonded to two equivalent Ni(3); two equivalent Ni(4); four Ni(1,1); and four equivalent Ni(2) atoms to form SnNi12 cuboctahedra that share corners with two equivalent Sn(1)Ni12 cuboctahedra; corners with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sb(1)Ni12 cuboctahedra; edges with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sb(1)Ni12 cuboctahedra. Sb(1) is bonded to two equivalent Ni(3); two equivalent Ni(4); four Ni(1,1); and four equivalent Ni(2) atoms to form SbNi12 cuboctahedra that share corners with two equivalent Sb(1)Ni12 cuboctahedra; corners with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra.
Ni6SnSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sb(1)Ni12 cuboctahedra; corners with ten Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; and faces with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra. There is one shorter (2.61 Å) and one longer (2.67 Å) Ni(1)-Ni(1) bond length. Both Ni(1)-Ni(2) bond lengths are 2.62 Å. Both Ni(1)-Ni(3) bond lengths are 2.57 Å. There is one shorter (2.52 Å) and one longer (2.70 Å) Ni(1)-Ni(4) bond length. Both Ni(1)-Sn(1) bond lengths are 2.60 Å. There is one shorter (2.58 Å) and one longer (2.61 Å) Ni(1)-Sb(1) bond length. In the second Ni site, Ni(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sb(1)Ni12 cuboctahedra; corners with ten Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; and faces with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra. Both Ni(1)-Ni(2) bond lengths are 2.62 Å. Both Ni(1)-Ni(3) bond lengths are 2.57 Å. There is one shorter (2.52 Å) and one longer (2.70 Å) Ni(1)-Ni(4) bond length. Both Ni(1)-Sn(1) bond lengths are 2.60 Å. There is one shorter (2.58 Å) and one longer (2.61 Å) Ni(1)-Sb(1) bond length. In the third Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), two equivalent Ni(4), two equivalent Sn(1), and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; corners with four equivalent Sn(1)Ni12 cuboctahedra; corners with ten equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Ni(1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sb(1)Ni12 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; and faces with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra. There is one shorter (2.61 Å) and one longer (2.66 Å) Ni(2)-Ni(2) bond length. There is one shorter (2.53 Å) and one longer (2.66 Å) Ni(2)-Ni(3) bond length. Both Ni(2)-Ni(4) bond lengths are 2.57 Å. There is one shorter (2.59 Å) and one longer (2.62 Å) Ni(2)-Sn(1) bond length. Both Ni(2)-Sb(1) bond lengths are 2.58 Å. In the fourth Ni site, Ni(3) is bonded to four Ni(1,1); four equivalent Ni(2); two equivalent Sn(1); and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Sn(1)Ni12 cuboctahedra; edges with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sb(1)Ni12 cuboctahedra. Both Ni(3)-Sn(1) bond lengths are 2.64 Å. Both Ni(3)-Sb(1) bond lengths are 2.67 Å. In the fifth Ni site, Ni(4) is bonded to four Ni(1,1); four equivalent Ni(2); two equivalent Sn(1); and two equivalent Sb(1) atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; corners with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Sb(1)Ni12 cuboctahedra; edges with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra. Both Ni(4)-Sn(1) bond lengths are 2.69 Å. Both Ni(4)-Sb(1) bond lengths are 2.64 Å. Sn(1) is bonded to two equivalent Ni(3); two equivalent Ni(4); four Ni(1,1); and four equivalent Ni(2) atoms to form SnNi12 cuboctahedra that share corners with two equivalent Sn(1)Ni12 cuboctahedra; corners with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sb(1)Ni12 cuboctahedra; edges with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sb(1)Ni12 cuboctahedra. Sb(1) is bonded to two equivalent Ni(3); two equivalent Ni(4); four Ni(1,1); and four equivalent Ni(2) atoms to form SbNi12 cuboctahedra that share corners with two equivalent Sb(1)Ni12 cuboctahedra; corners with eight Ni(1,1)Ni8Sn2Sb2 cuboctahedra; corners with eight equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; edges with two equivalent Sb(1)Ni12 cuboctahedra; edges with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Ni(4)Ni8Sn2Sb2 cuboctahedra; faces with two equivalent Sb(1)Ni12 cuboctahedra; faces with four Ni(1,1)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(2)Ni8Sn2Sb2 cuboctahedra; faces with four equivalent Ni(3)Ni8Sn2Sb2 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra.