Mn6Ni16P7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent P(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(2), and three equivalent P(2) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one P(1), and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) 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 PMn4Ni8 cuboctahedra. In the second P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms.
Mn6Ni16P7 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent P(2) atoms. All Mn(1)-Ni(1) bond lengths are 2.57 Å. All Mn(1)-Ni(2) bond lengths are 2.78 Å. All Mn(1)-P(2) bond lengths are 2.82 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1), three equivalent Ni(2), and three equivalent P(2) atoms. All Ni(1)-Ni(2) bond lengths are 2.51 Å. All Ni(1)-P(2) bond lengths are 2.24 Å. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Mn(1), three equivalent Ni(1), three equivalent Ni(2), one P(1), and three equivalent P(2) atoms. All Ni(2)-Ni(2) bond lengths are 2.56 Å. The Ni(2)-P(1) bond length is 2.22 Å. All Ni(2)-P(2) bond lengths are 2.43 Å. There are two inequivalent P sites. In the first P site, P(2) 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 PMn4Ni8 cuboctahedra. In the second P site, P(1) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms.