TiMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded in a body-centered cubic geometry to two Ni(1,1); six Ni(2,2); and six equivalent Sn(1) atoms. Mn(1) is bonded in a distorted body-centered cubic geometry to two Ni(2,2); six equivalent Ni(1); and six equivalent Sn(1) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Mn(1), and four equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. In the third Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Mn(1), and four equivalent Sn(1) atoms. In the fifth Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to three equivalent Ti(1); three equivalent Mn(1); four equivalent Ni(1); and four Ni(2,2) atoms.
TiMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded in a body-centered cubic geometry to two Ni(1,1); six Ni(2,2); and six equivalent Sn(1) atoms. Both Ti(1)-Ni(1,1) bond lengths are 2.58 Å. All Ti(1)-Ni(2,2) bond lengths are 2.62 Å. All Ti(1)-Sn(1) bond lengths are 3.06 Å. Mn(1) is bonded in a distorted body-centered cubic geometry to two Ni(2,2); six equivalent Ni(1); and six equivalent Sn(1) atoms. Both Mn(1)-Ni(2,2) bond lengths are 2.67 Å. All Mn(1)-Ni(1) bond lengths are 2.65 Å. All Mn(1)-Sn(1) bond lengths are 3.02 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Mn(1), and four equivalent Sn(1) atoms. There are three shorter (2.61 Å) and one longer (2.63 Å) Ni(1)-Sn(1) bond length. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. There is one shorter (2.62 Å) and three longer (2.66 Å) Ni(2)-Sn(1) bond lengths. In the third Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. There is one shorter (2.62 Å) and three longer (2.66 Å) Ni(2)-Sn(1) bond lengths. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Mn(1), and four equivalent Sn(1) atoms. All Ni(1)-Mn(1) bond lengths are 2.65 Å. There are three shorter (2.61 Å) and one longer (2.63 Å) Ni(1)-Sn(1) bond length. In the fifth Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to three equivalent Ti(1), one Mn(1), and four equivalent Sn(1) atoms. All Ni(2)-Ti(1) bond lengths are 2.62 Å. The Ni(2)-Mn(1) bond length is 2.67 Å. There is one shorter (2.62 Å) and three longer (2.66 Å) Ni(2)-Sn(1) bond lengths. Sn(1) is bonded in a 14-coordinate geometry to three equivalent Ti(1); three equivalent Mn(1); four equivalent Ni(1); and four Ni(2,2) atoms.