Mn3Ni4Sb is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to four Ni(1,1); four equivalent Ni(2); and three equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six Ni(1,1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(2), four equivalent Mn(1), and three equivalent Sb(1) atoms. In the third Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. Sb(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two Ni(1,1); and six equivalent Ni(2) atoms.
Mn3Ni4Sb is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to four Ni(1,1); four equivalent Ni(2); and three equivalent Sb(1) atoms. There is one shorter (2.47 Å) and three longer (2.57 Å) Mn(1)-Ni(1,1) bond lengths. There are three shorter (2.57 Å) and one longer (2.79 Å) Mn(1)-Ni(2) bond length. All Mn(1)-Sb(1) bond lengths are 3.03 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six Ni(1,1) atoms. Both Mn(2)-Ni(2) bond lengths are 2.53 Å. All Mn(2)-Ni(1,1) bond lengths are 2.55 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. The Ni(1)-Sb(1) bond length is 2.69 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(2), four equivalent Mn(1), and three equivalent Sb(1) atoms. All Ni(2)-Sb(1) bond lengths are 2.60 Å. In the third Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. The Ni(1)-Sb(1) bond length is 2.69 Å. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. All Ni(1)-Mn(2) bond lengths are 2.55 Å. There is one shorter (2.47 Å) and three longer (2.57 Å) Ni(1)-Mn(1) bond lengths. The Ni(1)-Sb(1) bond length is 2.69 Å. Sb(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two Ni(1,1); and six equivalent Ni(2) atoms.