Zr2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Zr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Zr(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms.
Zr2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Zr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. The Zr(1)-Si(3) bond length is 2.64 Å. Both Zr(1)-Si(1) bond lengths are 2.75 Å. There are a spread of Zr(1)-Si(2) bond distances ranging from 2.71-2.80 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. Both Cr(1)-Si(3) bond lengths are 2.46 Å. All Cr(1)-Si(2) bond lengths are 2.56 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. The Cr(2)-Si(2) bond length is 2.43 Å. Both Cr(2)-Si(1) bond lengths are 2.49 Å. There are a spread of Cr(2)-Si(3) bond distances ranging from 2.42-2.81 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Cr(2), and two equivalent Si(1) atoms. Both Si(1)-Si(1) bond lengths are 2.48 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Cr(2), and four equivalent Cr(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Zr(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(3) atoms. There is one shorter (2.34 Å) and two longer (2.72 Å) Si(3)-Si(3) bond lengths.