W2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 16-coordinate geometry to one W(1), three equivalent W(2), one Ni(1), two equivalent Ni(3), three equivalent Ni(4), four equivalent Ni(2), and two equivalent Si(1) atoms. In the second W site, W(2) is bonded in a 12-coordinate geometry to three equivalent W(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Ni(4), and four equivalent Si(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Ni(4), and four equivalent Si(1) atoms to form NiSi4Ni2W6 cuboctahedra that share corners with two equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with eight equivalent Ni(2)Ni6W6 cuboctahedra, edges with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, edges with four equivalent Ni(3)Ni6W6 cuboctahedra, faces with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, and faces with eight equivalent Si(1)Si2Ni4W6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form NiNi6W6 cuboctahedra that share corners with four equivalent Ni(2)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with six equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with two equivalent Ni(2)Ni6W6 cuboctahedra, edges with four equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with two equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with four equivalent Ni(3)Ni6W6 cuboctahedra, and faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form NiNi6W6 cuboctahedra that share corners with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with four equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with eight equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with two equivalent Ni(3)Ni6W6 cuboctahedra, edges with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with four equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, and faces with eight equivalent Ni(2)Ni6W6 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent W(1), three equivalent W(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Si(1) atoms to form NiSi2Ni4W6 cuboctahedra that share corners with two equivalent Ni(3)Ni6W6 cuboctahedra, corners with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with four equivalent Ni(2)Ni6W6 cuboctahedra, corners with four equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, faces with two equivalent Ni(4)Si2Ni4W6 cuboctahedra, faces with three equivalent Ni(3)Ni6W6 cuboctahedra, faces with three equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with six equivalent Ni(2)Ni6W6 cuboctahedra, and faces with six equivalent Si(1)Si2Ni4W6 cuboctahedra. Si(1) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Ni(1), two equivalent Ni(4), and two equivalent Si(1) atoms to form SiSi2Ni4W6 cuboctahedra that share corners with four equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Si(1)Si2Ni4W6 cuboctahedra, corners with six equivalent Ni(2)Ni6W6 cuboctahedra, edges with two equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with two equivalent Ni(2)Ni6W6 cuboctahedra, faces with two equivalent Ni(3)Ni6W6 cuboctahedra, faces with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with four equivalent Si(1)Si2Ni4W6 cuboctahedra, and faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra.
W2Ni3Si is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 16-coordinate geometry to one W(1), three equivalent W(2), one Ni(1), two equivalent Ni(3), three equivalent Ni(4), four equivalent Ni(2), and two equivalent Si(1) atoms. The W(1)-W(1) bond length is 2.78 Å. There is one shorter (2.85 Å) and two longer (2.92 Å) W(1)-W(2) bond lengths. The W(1)-Ni(1) bond length is 2.71 Å. Both W(1)-Ni(3) bond lengths are 2.76 Å. There are two shorter (2.78 Å) and one longer (2.83 Å) W(1)-Ni(4) bond length. All W(1)-Ni(2) bond lengths are 2.74 Å. Both W(1)-Si(1) bond lengths are 2.76 Å. In the second W site, W(2) is bonded in a 12-coordinate geometry to three equivalent W(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Ni(4), and four equivalent Si(1) atoms. The W(2)-Ni(3) bond length is 2.71 Å. Both W(2)-Ni(1) bond lengths are 2.79 Å. Both W(2)-Ni(2) bond lengths are 2.70 Å. There is one shorter (2.71 Å) and two longer (2.78 Å) W(2)-Ni(4) bond lengths. There are two shorter (2.74 Å) and two longer (2.80 Å) W(2)-Si(1) bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Ni(4), and four equivalent Si(1) atoms to form NiSi4Ni2W6 cuboctahedra that share corners with two equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with eight equivalent Ni(2)Ni6W6 cuboctahedra, edges with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, edges with four equivalent Ni(3)Ni6W6 cuboctahedra, faces with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, and faces with eight equivalent Si(1)Si2Ni4W6 cuboctahedra. Both Ni(1)-Ni(4) bond lengths are 2.38 Å. There are two shorter (2.25 Å) and two longer (2.47 Å) Ni(1)-Si(1) bond lengths. In the second Ni site, Ni(2) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form NiNi6W6 cuboctahedra that share corners with four equivalent Ni(2)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with six equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with two equivalent Ni(2)Ni6W6 cuboctahedra, edges with four equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with two equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with four equivalent Ni(3)Ni6W6 cuboctahedra, and faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra. There is one shorter (2.35 Å) and one longer (2.42 Å) Ni(2)-Ni(2) bond length. There is one shorter (2.32 Å) and one longer (2.40 Å) Ni(2)-Ni(3) bond length. Both Ni(2)-Ni(4) bond lengths are 2.43 Å. In the third Ni site, Ni(3) is bonded to two equivalent W(2), four equivalent W(1), two equivalent Ni(4), and four equivalent Ni(2) atoms to form NiNi6W6 cuboctahedra that share corners with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with four equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with eight equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with two equivalent Ni(3)Ni6W6 cuboctahedra, edges with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with four equivalent Si(1)Si2Ni4W6 cuboctahedra, faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, and faces with eight equivalent Ni(2)Ni6W6 cuboctahedra. Both Ni(3)-Ni(4) bond lengths are 2.37 Å. In the fourth Ni site, Ni(4) is bonded to three equivalent W(1), three equivalent W(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Si(1) atoms to form NiSi2Ni4W6 cuboctahedra that share corners with two equivalent Ni(3)Ni6W6 cuboctahedra, corners with two equivalent Ni(1)Si4Ni2W6 cuboctahedra, corners with four equivalent Ni(2)Ni6W6 cuboctahedra, corners with four equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with six equivalent Ni(4)Si2Ni4W6 cuboctahedra, faces with two equivalent Ni(4)Si2Ni4W6 cuboctahedra, faces with three equivalent Ni(3)Ni6W6 cuboctahedra, faces with three equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with six equivalent Ni(2)Ni6W6 cuboctahedra, and faces with six equivalent Si(1)Si2Ni4W6 cuboctahedra. Both Ni(4)-Si(1) bond lengths are 2.28 Å. Si(1) is bonded to two equivalent W(1), four equivalent W(2), two equivalent Ni(1), two equivalent Ni(4), and two equivalent Si(1) atoms to form SiSi2Ni4W6 cuboctahedra that share corners with four equivalent Ni(3)Ni6W6 cuboctahedra, corners with four equivalent Ni(4)Si2Ni4W6 cuboctahedra, corners with four equivalent Si(1)Si2Ni4W6 cuboctahedra, corners with six equivalent Ni(2)Ni6W6 cuboctahedra, edges with two equivalent Si(1)Si2Ni4W6 cuboctahedra, edges with four equivalent Ni(2)Ni6W6 cuboctahedra, faces with two equivalent Ni(2)Ni6W6 cuboctahedra, faces with two equivalent Ni(3)Ni6W6 cuboctahedra, faces with four equivalent Ni(1)Si4Ni2W6 cuboctahedra, faces with four equivalent Si(1)Si2Ni4W6 cuboctahedra, and faces with six equivalent Ni(4)Si2Ni4W6 cuboctahedra. There is one shorter (2.35 Å) and one longer (2.42 Å) Si(1)-Si(1) bond length.