TiCr2P3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one P(10), one P(9), two equivalent P(1), and two equivalent P(4) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. In the fifth Cr site, Cr(5) is bonded in a 6-coordinate geometry to one P(12), one P(8), two equivalent P(3), and two equivalent P(6) atoms. In the sixth Cr site, Cr(6) is bonded to one P(10), one P(9), two equivalent P(1), and two equivalent P(4) atoms to form distorted edge-sharing CrP6 octahedra. In the seventh Cr site, Cr(7) is bonded in a 6-coordinate geometry to one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. In the eighth Cr site, Cr(8) is bonded in a 6-coordinate geometry to one P(12), one P(8), two equivalent P(3), and two equivalent P(6) atoms. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Ti(3), one Cr(2), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(4), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Ti(2), one Cr(1), two equivalent Cr(5), and two equivalent Cr(8) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(4), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to one Ti(2), one Cr(1), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the sixth P site, P(6) is bonded in a 6-coordinate geometry to one Ti(3), one Cr(2), two equivalent Cr(5), and two equivalent Cr(8) atoms. In the seventh P site, P(7) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), one Cr(4), and one Cr(7) atom. In the eighth P site, P(8) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one Cr(5), one Cr(8), and two equivalent Cr(1) atoms. In the ninth P site, P(9) is bonded in a 6-coordinate geometry to two equivalent Ti(3), one Cr(3), one Cr(6), and two equivalent Cr(2) atoms. In the tenth P site, P(10) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), one Cr(3), and one Cr(6) atom. In the eleventh P site, P(11) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one Cr(4), one Cr(7), and two equivalent Cr(1) atoms. In the twelfth P site, P(12) is bonded in a 6-coordinate geometry to two equivalent Ti(3), one Cr(5), one Cr(8), and two equivalent Cr(2) atoms.
TiCr2P3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. The Ti(1)-P(2) bond length is 2.64 Å. The Ti(1)-P(4) bond length is 2.40 Å. Both Ti(1)-P(10) bond lengths are 2.48 Å. Both Ti(1)-P(7) bond lengths are 2.52 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. The Ti(2)-P(3) bond length is 2.57 Å. The Ti(2)-P(5) bond length is 2.41 Å. Both Ti(2)-P(11) bond lengths are 2.51 Å. Both Ti(2)-P(8) bond lengths are 2.47 Å. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. The Ti(3)-P(1) bond length is 2.57 Å. The Ti(3)-P(6) bond length is 2.40 Å. Both Ti(3)-P(12) bond lengths are 2.50 Å. Both Ti(3)-P(9) bond lengths are 2.47 Å. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. The Ti(4)-P(2) bond length is 2.43 Å. The Ti(4)-P(4) bond length is 2.66 Å. Both Ti(4)-P(10) bond lengths are 2.52 Å. Both Ti(4)-P(7) bond lengths are 2.49 Å. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. The Cr(1)-P(3) bond length is 2.33 Å. The Cr(1)-P(5) bond length is 2.54 Å. Both Cr(1)-P(11) bond lengths are 2.39 Å. Both Cr(1)-P(8) bond lengths are 2.38 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. The Cr(2)-P(1) bond length is 2.32 Å. The Cr(2)-P(6) bond length is 2.54 Å. Both Cr(2)-P(12) bond lengths are 2.39 Å. Both Cr(2)-P(9) bond lengths are 2.37 Å. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one P(10), one P(9), two equivalent P(1), and two equivalent P(4) atoms. The Cr(3)-P(10) bond length is 2.32 Å. The Cr(3)-P(9) bond length is 2.46 Å. Both Cr(3)-P(1) bond lengths are 2.38 Å. Both Cr(3)-P(4) bond lengths are 2.36 Å. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. The Cr(4)-P(11) bond length is 2.33 Å. The Cr(4)-P(7) bond length is 2.42 Å. Both Cr(4)-P(2) bond lengths are 2.39 Å. Both Cr(4)-P(5) bond lengths are 2.41 Å. In the fifth Cr site, Cr(5) is bonded in a 6-coordinate geometry to one P(12), one P(8), two equivalent P(3), and two equivalent P(6) atoms. The Cr(5)-P(12) bond length is 2.35 Å. The Cr(5)-P(8) bond length is 2.51 Å. Both Cr(5)-P(3) bond lengths are 2.39 Å. Both Cr(5)-P(6) bond lengths are 2.40 Å. In the sixth Cr site, Cr(6) is bonded to one P(10), one P(9), two equivalent P(1), and two equivalent P(4) atoms to form distorted edge-sharing CrP6 octahedra. The Cr(6)-P(10) bond length is 2.40 Å. The Cr(6)-P(9) bond length is 2.26 Å. Both Cr(6)-P(1) bond lengths are 2.32 Å. Both Cr(6)-P(4) bond lengths are 2.38 Å. In the seventh Cr site, Cr(7) is bonded in a 6-coordinate geometry to one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. The Cr(7)-P(11) bond length is 2.37 Å. The Cr(7)-P(7) bond length is 2.30 Å. Both Cr(7)-P(2) bond lengths are 2.38 Å. Both Cr(7)-P(5) bond lengths are 2.36 Å. In the eighth Cr site, Cr(8) is bonded in a 6-coordinate geometry to one P(12), one P(8), two equivalent P(3), and two equivalent P(6) atoms. The Cr(8)-P(12) bond length is 2.37 Å. The Cr(8)-P(8) bond length is 2.26 Å. Both Cr(8)-P(3) bond lengths are 2.33 Å. Both Cr(8)-P(6) bond lengths are 2.37 Å. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Ti(3), one Cr(2), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(4), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the third P site, P(3) is bonded in a 6-coordinate geometry to one Ti(2), one Cr(1), two equivalent Cr(5), and two equivalent Cr(8) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Ti(1), one Ti(4), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to one Ti(2), one Cr(1), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the sixth P site, P(6) is bonded in a 6-coordinate geometry to one Ti(3), one Cr(2), two equivalent Cr(5), and two equivalent Cr(8) atoms. In the seventh P site, P(7) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), one Cr(4), and one Cr(7) atom. In the eighth P site, P(8) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one Cr(5), one Cr(8), and two equivalent Cr(1) atoms. In the ninth P site, P(9) is bonded in a 6-coordinate geometry to two equivalent Ti(3), one Cr(3), one Cr(6), and two equivalent Cr(2) atoms. In the tenth P site, P(10) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), one Cr(3), and one Cr(6) atom. In the eleventh P site, P(11) is bonded in a 6-coordinate geometry to two equivalent Ti(2), one Cr(4), one Cr(7), and two equivalent Cr(1) atoms. In the twelfth P site, P(12) is bonded in a 6-coordinate geometry to two equivalent Ti(3), one Cr(5), one Cr(8), and two equivalent Cr(2) atoms.