V5Fe5Si6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 15-coordinate geometry to one V(1), two equivalent V(2), two equivalent V(3), one Fe(2), four equivalent Fe(1), one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second V site, V(2) is bonded in a 15-coordinate geometry to two equivalent V(3), four equivalent V(1), four equivalent Fe(1), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one V(2), two equivalent V(1), two equivalent Fe(2), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one V(2), two equivalent V(1), two equivalent Fe(1), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent V(1), four equivalent V(3), one Si(1), two equivalent Si(2), 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 two equivalent V(1), two equivalent V(2), one Fe(2), four equivalent Fe(1), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent V(1), two equivalent V(3), one Fe(2), and four equivalent Fe(1) atoms. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to one V(2), two equivalent V(3), two equivalent Fe(2), four equivalent Fe(1), and two equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(1), two equivalent V(3), and four equivalent Fe(1) atoms.
V5Fe5Si6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 15-coordinate geometry to one V(1), two equivalent V(2), two equivalent V(3), one Fe(2), four equivalent Fe(1), one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. The V(1)-V(1) bond length is 2.63 Å. Both V(1)-V(2) bond lengths are 2.81 Å. Both V(1)-V(3) bond lengths are 2.84 Å. The V(1)-Fe(2) bond length is 2.81 Å. There are two shorter (2.95 Å) and two longer (3.00 Å) V(1)-Fe(1) bond lengths. The V(1)-Si(1) bond length is 2.46 Å. There is one shorter (2.47 Å) and one longer (2.57 Å) V(1)-Si(2) bond length. Both V(1)-Si(4) bond lengths are 2.69 Å. In the second V site, V(2) is bonded in a 15-coordinate geometry to two equivalent V(3), four equivalent V(1), four equivalent Fe(1), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. Both V(2)-V(3) bond lengths are 2.71 Å. All V(2)-Fe(1) bond lengths are 2.95 Å. The V(2)-Si(3) bond length is 2.52 Å. Both V(2)-Si(1) bond lengths are 2.69 Å. Both V(2)-Si(4) bond lengths are 2.45 Å. In the third V site, V(3) is bonded in a 5-coordinate geometry to one V(2), two equivalent V(1), two equivalent Fe(2), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. Both V(3)-Fe(2) bond lengths are 2.87 Å. The V(3)-Si(3) bond length is 2.45 Å. Both V(3)-Si(2) bond lengths are 2.65 Å. There is one shorter (2.43 Å) and one longer (2.49 Å) V(3)-Si(4) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one V(2), two equivalent V(1), two equivalent Fe(1), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. Both Fe(1)-Fe(1) bond lengths are 2.36 Å. The Fe(1)-Si(1) bond length is 2.38 Å. The Fe(1)-Si(3) bond length is 2.41 Å. There is one shorter (2.40 Å) and one longer (2.42 Å) Fe(1)-Si(2) bond length. Both Fe(1)-Si(4) bond lengths are 2.38 Å. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent V(1), four equivalent V(3), one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. The Fe(2)-Si(1) bond length is 2.36 Å. Both Fe(2)-Si(2) bond lengths are 2.36 Å. Both Fe(2)-Si(3) bond lengths are 2.62 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent V(1), two equivalent V(2), one Fe(2), four equivalent Fe(1), and two equivalent Si(3) atoms. Both Si(1)-Si(3) bond lengths are 2.66 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent V(1), two equivalent V(3), one Fe(2), and four equivalent Fe(1) atoms. In the third Si site, Si(3) is bonded in a 11-coordinate geometry to one V(2), two equivalent V(3), two equivalent Fe(2), four equivalent Fe(1), and two equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(2), two equivalent V(1), two equivalent V(3), and four equivalent Fe(1) atoms.