TiCrSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(6), and six equivalent Si(4) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and six equivalent Si(5) atoms. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(4), and six equivalent Si(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to two equivalent Si(3), two equivalent Si(6), and six equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Si(4), two equivalent Si(5), and six equivalent Si(2) atoms. In the third Cr site, Cr(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(5), and six equivalent Si(3) atoms. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ti(3), one Cr(3), three equivalent Cr(1), one Si(3), one Si(6), and three equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(2), three equivalent Cr(2), one Si(4), one Si(5), and three equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(1), three equivalent Cr(3), one Si(1), one Si(5), and three equivalent Si(3) atoms. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ti(3), three equivalent Ti(1), one Cr(2), one Si(2), one Si(6), and three equivalent Si(4) atoms. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to three equivalent Ti(2), one Cr(2), one Cr(3), one Si(2), one Si(3), and three equivalent Si(5) atoms. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ti(1), three equivalent Ti(3), one Cr(1), one Si(1), one Si(4), and three equivalent Si(6) atoms.
TiCrSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(6), and six equivalent Si(4) atoms. Both Ti(1)-Si(2) bond lengths are 2.54 Å. Both Ti(1)-Si(6) bond lengths are 2.57 Å. There are four shorter (2.64 Å) and two longer (2.71 Å) Ti(1)-Si(4) bond lengths. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(3), and six equivalent Si(5) atoms. Both Ti(2)-Si(2) bond lengths are 2.53 Å. Both Ti(2)-Si(3) bond lengths are 2.54 Å. There are a spread of Ti(2)-Si(5) bond distances ranging from 2.64-2.70 Å. In the third Ti site, Ti(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(4), and six equivalent Si(6) atoms. Both Ti(3)-Si(1) bond lengths are 2.56 Å. Both Ti(3)-Si(4) bond lengths are 2.58 Å. There are a spread of Ti(3)-Si(6) bond distances ranging from 2.64-2.70 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to two equivalent Si(3), two equivalent Si(6), and six equivalent Si(1) atoms. Both Cr(1)-Si(3) bond lengths are 2.47 Å. Both Cr(1)-Si(6) bond lengths are 2.50 Å. There are a spread of Cr(1)-Si(1) bond distances ranging from 2.63-2.69 Å. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent Si(4), two equivalent Si(5), and six equivalent Si(2) atoms. Both Cr(2)-Si(4) bond lengths are 2.52 Å. Both Cr(2)-Si(5) bond lengths are 2.52 Å. There are a spread of Cr(2)-Si(2) bond distances ranging from 2.64-2.69 Å. In the third Cr site, Cr(3) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(5), and six equivalent Si(3) atoms. Both Cr(3)-Si(1) bond lengths are 2.48 Å. Both Cr(3)-Si(5) bond lengths are 2.52 Å. There are a spread of Cr(3)-Si(3) bond distances ranging from 2.64-2.69 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to one Ti(3), one Cr(3), three equivalent Cr(1), one Si(3), one Si(6), and three equivalent Si(1) atoms. The Si(1)-Si(3) bond length is 2.48 Å. The Si(1)-Si(6) bond length is 2.49 Å. There are a spread of Si(1)-Si(1) bond distances ranging from 2.61-2.73 Å. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Ti(1), one Ti(2), three equivalent Cr(2), one Si(4), one Si(5), and three equivalent Si(2) atoms. The Si(2)-Si(4) bond length is 2.49 Å. The Si(2)-Si(5) bond length is 2.50 Å. There are a spread of Si(2)-Si(2) bond distances ranging from 2.64-2.68 Å. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one Ti(2), one Cr(1), three equivalent Cr(3), one Si(1), one Si(5), and three equivalent Si(3) atoms. The Si(3)-Si(5) bond length is 2.51 Å. There are a spread of Si(3)-Si(3) bond distances ranging from 2.62-2.75 Å. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Ti(3), three equivalent Ti(1), one Cr(2), one Si(2), one Si(6), and three equivalent Si(4) atoms. The Si(4)-Si(6) bond length is 2.55 Å. There are a spread of Si(4)-Si(4) bond distances ranging from 2.57-2.75 Å. In the fifth Si site, Si(5) is bonded in a 10-coordinate geometry to three equivalent Ti(2), one Cr(2), one Cr(3), one Si(2), one Si(3), and three equivalent Si(5) atoms. There are a spread of Si(5)-Si(5) bond distances ranging from 2.56-2.73 Å. In the sixth Si site, Si(6) is bonded in a 10-coordinate geometry to one Ti(1), three equivalent Ti(3), one Cr(1), one Si(1), one Si(4), and three equivalent Si(6) atoms. There are a spread of Si(6)-Si(6) bond distances ranging from 2.56-2.76 Å.