Nb2(CrSi)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(2), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(3), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nb(3), two equivalent Nb(2), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nb(3), two equivalent Nb(1), two equivalent Nb(2), and four equivalent Cr(1) atoms.
Nb2(CrSi)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. The Nb(1)-Si(2) bond length is 2.69 Å. Both Nb(1)-Si(1) bond lengths are 2.62 Å. Both Nb(1)-Si(4) bond lengths are 2.74 Å. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. The Nb(2)-Si(4) bond length is 2.59 Å. Both Nb(2)-Si(1) bond lengths are 2.72 Å. There is one shorter (2.54 Å) and one longer (2.55 Å) Nb(2)-Si(3) bond length. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. The Nb(3)-Si(4) bond length is 2.61 Å. Both Nb(3)-Si(2) bond lengths are 2.71 Å. Both Nb(3)-Si(3) bond lengths are 2.58 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. There is one shorter (2.41 Å) and one longer (2.45 Å) Cr(1)-Cr(1) bond length. The Cr(1)-Si(2) bond length is 2.53 Å. The Cr(1)-Si(4) bond length is 2.49 Å. There is one shorter (2.48 Å) and one longer (2.52 Å) Cr(1)-Si(1) bond length. There is one shorter (2.50 Å) and one longer (2.53 Å) Cr(1)-Si(3) bond length. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. The Cr(2)-Si(2) bond length is 2.49 Å. There is one shorter (2.47 Å) and one longer (2.50 Å) Cr(2)-Si(1) bond length. Both Cr(2)-Si(3) bond lengths are 2.68 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(2), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(3), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nb(3), two equivalent Nb(2), two equivalent Cr(2), and four equivalent Cr(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nb(3), two equivalent Nb(1), two equivalent Nb(2), and four equivalent Cr(1) atoms.