Ti3Cr3Si5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Cr(2), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), two equivalent Si(3), and four equivalent Si(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Cr(1), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and four equivalent Cr(2) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and two equivalent Cr(2) atoms.
Ti3Cr3Si5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Ti(2), two equivalent Cr(2), one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. Both Ti(1)-Ti(2) bond lengths are 2.97 Å. Both Ti(1)-Cr(2) bond lengths are 2.70 Å. The Ti(1)-Si(1) bond length is 2.60 Å. The Ti(1)-Si(3) bond length is 2.67 Å. Both Ti(1)-Si(2) bond lengths are 2.60 Å. Both Ti(1)-Si(4) bond lengths are 2.58 Å. In the second Ti site, Ti(2) is bonded in a 12-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), two equivalent Si(3), and four equivalent Si(4) atoms. There is one shorter (2.41 Å) and one longer (2.54 Å) Ti(2)-Ti(2) bond length. Both Ti(2)-Si(3) bond lengths are 3.03 Å. All Ti(2)-Si(4) bond lengths are 2.68 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. The Cr(1)-Si(3) bond length is 2.64 Å. Both Cr(1)-Si(1) bond lengths are 2.73 Å. Both Cr(1)-Si(2) bond lengths are 2.49 Å. Both Cr(1)-Si(4) bond lengths are 2.46 Å. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Ti(1), two equivalent Cr(2), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. Both Cr(2)-Cr(2) bond lengths are 2.47 Å. Both Cr(2)-Si(1) bond lengths are 2.41 Å. Both Cr(2)-Si(3) bond lengths are 2.58 Å. Both Cr(2)-Si(4) bond lengths are 2.47 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cr(1), and four equivalent Cr(2) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent Cr(1), and two equivalent Si(2) atoms. There is one shorter (2.36 Å) and one longer (2.58 Å) Si(2)-Si(2) bond length. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and four equivalent Cr(2) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), one Cr(1), and two equivalent Cr(2) atoms.