CrMn2As3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. There are twelve inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(4), and one Mn(7) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(5), one Mn(8), and two equivalent Mn(1) atoms. In the ninth As site, As(9) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(3), one Mn(6), and two equivalent Mn(2) atoms. In the tenth As site, As(10) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(3), and one Mn(6) atom. In the eleventh As site, As(11) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(4), one Mn(7), and two equivalent Mn(1) atoms. In the twelfth As site, As(12) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(5), one Mn(8), and two equivalent Mn(2) atoms.
CrMn2As3 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. The Cr(1)-As(2) bond length is 2.60 Å. The Cr(1)-As(4) bond length is 2.38 Å. Both Cr(1)-As(10) bond lengths are 2.48 Å. Both Cr(1)-As(7) bond lengths are 2.48 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. The Cr(2)-As(3) bond length is 2.59 Å. The Cr(2)-As(5) bond length is 2.38 Å. Both Cr(2)-As(11) bond lengths are 2.50 Å. Both Cr(2)-As(8) bond lengths are 2.47 Å. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. The Cr(3)-As(1) bond length is 2.59 Å. The Cr(3)-As(6) bond length is 2.38 Å. Both Cr(3)-As(12) bond lengths are 2.49 Å. Both Cr(3)-As(9) bond lengths are 2.47 Å. In the fourth Cr site, Cr(4) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(10), and two equivalent As(7) atoms. The Cr(4)-As(2) bond length is 2.39 Å. The Cr(4)-As(4) bond length is 2.60 Å. Both Cr(4)-As(10) bond lengths are 2.48 Å. Both Cr(4)-As(7) bond lengths are 2.48 Å. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one As(3), one As(5), two equivalent As(11), and two equivalent As(8) atoms. The Mn(1)-As(3) bond length is 2.37 Å. The Mn(1)-As(5) bond length is 2.61 Å. Both Mn(1)-As(11) bond lengths are 2.48 Å. Both Mn(1)-As(8) bond lengths are 2.48 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one As(1), one As(6), two equivalent As(12), and two equivalent As(9) atoms. The Mn(2)-As(1) bond length is 2.37 Å. The Mn(2)-As(6) bond length is 2.61 Å. Both Mn(2)-As(12) bond lengths are 2.47 Å. Both Mn(2)-As(9) bond lengths are 2.48 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. The Mn(3)-As(10) bond length is 2.37 Å. The Mn(3)-As(9) bond length is 2.60 Å. Both Mn(3)-As(1) bond lengths are 2.47 Å. Both Mn(3)-As(4) bond lengths are 2.48 Å. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. The Mn(4)-As(11) bond length is 2.38 Å. The Mn(4)-As(7) bond length is 2.59 Å. Both Mn(4)-As(2) bond lengths are 2.47 Å. Both Mn(4)-As(5) bond lengths are 2.49 Å. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. The Mn(5)-As(12) bond length is 2.37 Å. The Mn(5)-As(8) bond length is 2.60 Å. Both Mn(5)-As(3) bond lengths are 2.47 Å. Both Mn(5)-As(6) bond lengths are 2.48 Å. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one As(10), one As(9), two equivalent As(1), and two equivalent As(4) atoms. The Mn(6)-As(10) bond length is 2.62 Å. The Mn(6)-As(9) bond length is 2.37 Å. Both Mn(6)-As(1) bond lengths are 2.48 Å. Both Mn(6)-As(4) bond lengths are 2.49 Å. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one As(11), one As(7), two equivalent As(2), and two equivalent As(5) atoms. The Mn(7)-As(11) bond length is 2.56 Å. The Mn(7)-As(7) bond length is 2.39 Å. Both Mn(7)-As(2) bond lengths are 2.48 Å. Both Mn(7)-As(5) bond lengths are 2.45 Å. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one As(12), one As(8), two equivalent As(3), and two equivalent As(6) atoms. The Mn(8)-As(12) bond length is 2.59 Å. The Mn(8)-As(8) bond length is 2.37 Å. Both Mn(8)-As(3) bond lengths are 2.48 Å. Both Mn(8)-As(6) bond lengths are 2.47 Å. There are twelve inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(4), two equivalent Mn(3), and two equivalent Mn(6) atoms. In the fifth As site, As(5) is bonded in a 6-coordinate geometry to one Cr(2), one Mn(1), two equivalent Mn(4), and two equivalent Mn(7) atoms. In the sixth As site, As(6) is bonded in a 6-coordinate geometry to one Cr(3), one Mn(2), two equivalent Mn(5), and two equivalent Mn(8) atoms. In the seventh As site, As(7) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(4), and one Mn(7) atom. In the eighth As site, As(8) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(5), one Mn(8), and two equivalent Mn(1) atoms. In the ninth As site, As(9) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(3), one Mn(6), and two equivalent Mn(2) atoms. In the tenth As site, As(10) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(4), one Mn(3), and one Mn(6) atom. In the eleventh As site, As(11) is bonded in a 6-coordinate geometry to two equivalent Cr(2), one Mn(4), one Mn(7), and two equivalent Mn(1) atoms. In the twelfth As site, As(12) is bonded in a 6-coordinate geometry to two equivalent Cr(3), one Mn(5), one Mn(8), and two equivalent Mn(2) atoms.