MoCr2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Cr(3), one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to two equivalent Cr(2), two equivalent Cr(5), one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. In the fourth Mo site, Mo(4) is bonded in a 8-coordinate geometry to two equivalent Cr(7), 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 two equivalent Mo(2), 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 two equivalent Mo(3), 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 two equivalent Mo(1), 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 two equivalent Mo(2), 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 two equivalent Mo(3), 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 in a 6-coordinate geometry to one P(10), one P(9), two equivalent P(1), and two equivalent P(4) atoms. In the seventh Cr site, Cr(7) is bonded in a 6-coordinate geometry to two equivalent Mo(4), 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 5-coordinate geometry to one Mo(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 4-coordinate geometry to one Mo(1), one Mo(4), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the third P site, P(3) is bonded in a 5-coordinate geometry to one Mo(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 4-coordinate geometry to one Mo(1), one Mo(4), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Mo(2), one Cr(1), two equivalent Cr(4), two equivalent Cr(7), and two equivalent P(11) atoms. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Mo(3), one Cr(2), two equivalent Cr(5), two equivalent Cr(8), and two equivalent P(12) atoms. In the seventh P site, P(7) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Mo(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 Mo(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 Mo(3), one Cr(3), one Cr(6), and two equivalent Cr(2) atoms. In the tenth P site, P(10) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Mo(4), one Cr(3), and one Cr(6) atom. In the eleventh P site, P(11) is bonded in a 8-coordinate geometry to two equivalent Mo(2), one Cr(4), one Cr(7), two equivalent Cr(1), and two equivalent P(5) atoms. In the twelfth P site, P(12) is bonded in a 8-coordinate geometry to two equivalent Mo(3), one Cr(5), one Cr(8), two equivalent Cr(2), and two equivalent P(6) atoms.
MoCr2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Cr(3), one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. Both Mo(1)-Cr(3) bond lengths are 2.83 Å. The Mo(1)-P(2) bond length is 2.57 Å. The Mo(1)-P(4) bond length is 2.44 Å. Both Mo(1)-P(10) bond lengths are 2.49 Å. Both Mo(1)-P(7) bond lengths are 2.47 Å. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. There is one shorter (2.79 Å) and one longer (2.84 Å) Mo(2)-Cr(1) bond length. Both Mo(2)-Cr(4) bond lengths are 2.77 Å. The Mo(2)-P(3) bond length is 2.52 Å. The Mo(2)-P(5) bond length is 2.42 Å. Both Mo(2)-P(11) bond lengths are 2.48 Å. Both Mo(2)-P(8) bond lengths are 2.47 Å. In the third Mo site, Mo(3) is bonded in a 10-coordinate geometry to two equivalent Cr(2), two equivalent Cr(5), one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. There is one shorter (2.80 Å) and one longer (2.84 Å) Mo(3)-Cr(2) bond length. Both Mo(3)-Cr(5) bond lengths are 2.79 Å. The Mo(3)-P(1) bond length is 2.52 Å. The Mo(3)-P(6) bond length is 2.41 Å. Both Mo(3)-P(12) bond lengths are 2.48 Å. Both Mo(3)-P(9) bond lengths are 2.47 Å. In the fourth Mo site, Mo(4) is bonded in a 8-coordinate geometry to two equivalent Cr(7), one P(2), one P(4), two equivalent P(10), and two equivalent P(7) atoms. Both Mo(4)-Cr(7) bond lengths are 2.83 Å. The Mo(4)-P(2) bond length is 2.44 Å. The Mo(4)-P(4) bond length is 2.58 Å. Both Mo(4)-P(10) bond lengths are 2.47 Å. Both Mo(4)-P(7) bond lengths are 2.50 Å. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent Mo(2), one P(3), one P(5), two equivalent P(11), and two equivalent P(8) atoms. The Cr(1)-P(3) bond length is 2.37 Å. The Cr(1)-P(5) bond length is 2.49 Å. Both Cr(1)-P(11) bond lengths are 2.37 Å. Both Cr(1)-P(8) bond lengths are 2.41 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Mo(3), one P(1), one P(6), two equivalent P(12), and two equivalent P(9) atoms. The Cr(2)-P(1) bond length is 2.37 Å. The Cr(2)-P(6) bond length is 2.50 Å. Both Cr(2)-P(12) bond lengths are 2.37 Å. Both Cr(2)-P(9) bond lengths are 2.41 Å. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to two equivalent Mo(1), 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 2.43 Å. Both Cr(3)-P(1) bond lengths are 2.38 Å. Both Cr(3)-P(4) bond lengths are 2.38 Å. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to two equivalent Mo(2), one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. The Cr(4)-P(11) bond length is 2.36 Å. The Cr(4)-P(7) bond length is 2.38 Å. Both Cr(4)-P(2) bond lengths are 2.36 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 two equivalent Mo(3), one P(12), one P(8), two equivalent P(3), and two equivalent P(6) atoms. The Cr(5)-P(12) bond length is 2.37 Å. The Cr(5)-P(8) bond length is 2.44 Å. Both Cr(5)-P(3) bond lengths are 2.38 Å. Both Cr(5)-P(6) bond lengths are 2.41 Å. In the sixth Cr site, Cr(6) 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(6)-P(10) bond length is 2.37 Å. The Cr(6)-P(9) bond length is 2.27 Å. Both Cr(6)-P(1) bond lengths are 2.36 Å. Both Cr(6)-P(4) bond lengths are 2.36 Å. In the seventh Cr site, Cr(7) is bonded in a 6-coordinate geometry to two equivalent Mo(4), one P(11), one P(7), two equivalent P(2), and two equivalent P(5) atoms. The Cr(7)-P(11) bond length is 2.39 Å. The Cr(7)-P(7) bond length is 2.32 Å. Both Cr(7)-P(2) bond lengths are 2.39 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 2.39 Å. The Cr(8)-P(8) bond length is 2.27 Å. Both Cr(8)-P(3) bond lengths are 2.37 Å. Both Cr(8)-P(6) bond lengths are 2.36 Å. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Mo(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 4-coordinate geometry to one Mo(1), one Mo(4), two equivalent Cr(4), and two equivalent Cr(7) atoms. In the third P site, P(3) is bonded in a 5-coordinate geometry to one Mo(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 4-coordinate geometry to one Mo(1), one Mo(4), two equivalent Cr(3), and two equivalent Cr(6) atoms. In the fifth P site, P(5) is bonded in a 8-coordinate geometry to one Mo(2), one Cr(1), two equivalent Cr(4), two equivalent Cr(7), and two equivalent P(11) atoms. Both P(5)-P(11) bond lengths are 2.59 Å. In the sixth P site, P(6) is bonded in a 8-coordinate geometry to one Mo(3), one Cr(2), two equivalent Cr(5), two equivalent Cr(8), and two equivalent P(12) atoms. Both P(6)-P(12) bond lengths are 2.61 Å. In the seventh P site, P(7) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Mo(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 Mo(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 Mo(3), one Cr(3), one Cr(6), and two equivalent Cr(2) atoms. In the tenth P site, P(10) is bonded in a 2-coordinate geometry to two equivalent Mo(1), two equivalent Mo(4), one Cr(3), and one Cr(6) atom. In the eleventh P site, P(11) is bonded in a 8-coordinate geometry to two equivalent Mo(2), one Cr(4), one Cr(7), two equivalent Cr(1), and two equivalent P(5) atoms. In the twelfth P site, P(12) is bonded in a 8-coordinate geometry to two equivalent Mo(3), one Cr(5), one Cr(8), two equivalent Cr(2), and two equivalent P(6) atoms.