Mn6Ni16As7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Ni(1), four equivalent Ni(2), and four equivalent As(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one As(2), and three equivalent As(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and three equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of distorted face and corner-sharing AsMn4Ni8 cuboctahedra. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms.
Mn6Ni16As7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 16-coordinate geometry to four equivalent Mn(1), four equivalent Ni(1), four equivalent Ni(2), and four equivalent As(1) atoms. All Mn(1)-Mn(1) bond lengths are 3.01 Å. All Mn(1)-Ni(1) bond lengths are 2.90 Å. All Mn(1)-Ni(2) bond lengths are 2.64 Å. All Mn(1)-As(1) bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one As(2), and three equivalent As(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.67 Å. All Ni(1)-Ni(2) bond lengths are 2.58 Å. The Ni(1)-As(2) bond length is 2.31 Å. All Ni(1)-As(1) bond lengths are 2.50 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), and three equivalent As(1) atoms. All Ni(2)-As(1) bond lengths are 2.31 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of distorted face and corner-sharing AsMn4Ni8 cuboctahedra. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms.