MnFeAs crystallizes in the hexagonal P-62m space group. Mn(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1), one As(2), and four equivalent As(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to six equivalent Mn(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Mn(1) and six equivalent Fe(1) atoms. In the second As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Fe(1) atoms.
MnFeAs crystallizes in the hexagonal P-62m space group. Mn(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1), one As(2), and four equivalent As(1) atoms. There are two shorter (2.74 Å) and four longer (2.79 Å) Mn(1)-Fe(1) bond lengths. The Mn(1)-As(2) bond length is 2.54 Å. All Mn(1)-As(1) bond lengths are 2.57 Å. Fe(1) is bonded in a 4-coordinate geometry to six equivalent Mn(1), two equivalent As(1), and two equivalent As(2) atoms. Both Fe(1)-As(1) bond lengths are 2.40 Å. Both Fe(1)-As(2) bond lengths are 2.35 Å. There are two inequivalent As sites. In the first As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Mn(1) and six equivalent Fe(1) atoms. In the second As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Fe(1) atoms.