Ni2MnGa is alpha iridium vanadium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), six equivalent Ni(1), and three equivalent Ga(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(1), two equivalent Ni(3), four equivalent Ni(2), one Ga(3), and two equivalent Ga(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Ga(2), and three equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), one Mn(3), two equivalent Mn(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. In the third Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 13-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Ni(2), and six equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. In the third Ga site, Ga(3) is bonded to two equivalent Mn(2), two equivalent Mn(3), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of distorted corner and edge-sharing GaMn4Ni8 cuboctahedra.
Ni2MnGa is alpha iridium vanadium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), six equivalent Ni(1), and three equivalent Ga(1) atoms. Both Mn(1)-Ni(2) bond lengths are 2.48 Å. There are two shorter (2.48 Å) and four longer (2.51 Å) Mn(1)-Ni(1) bond lengths. There is one shorter (2.70 Å) and two longer (2.76 Å) Mn(1)-Ga(1) bond lengths. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(1), two equivalent Ni(3), four equivalent Ni(2), one Ga(3), and two equivalent Ga(1) atoms. Both Mn(2)-Ni(1) bond lengths are 2.48 Å. Both Mn(2)-Ni(3) bond lengths are 2.49 Å. There are two shorter (2.48 Å) and two longer (2.51 Å) Mn(2)-Ni(2) bond lengths. The Mn(2)-Ga(3) bond length is 2.78 Å. There is one shorter (2.90 Å) and one longer (2.95 Å) Mn(2)-Ga(1) bond length. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(3) atoms. All Mn(3)-Ni(2) bond lengths are 2.49 Å. All Mn(3)-Ni(3) bond lengths are 2.49 Å. Both Mn(3)-Ga(3) bond lengths are 2.76 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Ga(2), and three equivalent Ga(1) atoms. The Ni(1)-Ga(2) bond length is 2.48 Å. There is one shorter (2.48 Å) and two longer (2.51 Å) Ni(1)-Ga(1) bond lengths. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), one Mn(3), two equivalent Mn(2), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms. The Ni(2)-Ga(1) bond length is 2.48 Å. The Ni(2)-Ga(3) bond length is 2.49 Å. There is one shorter (2.48 Å) and one longer (2.51 Å) Ni(2)-Ga(2) bond length. In the third Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Ga(2), and two equivalent Ga(3) atoms. Both Ni(3)-Ga(2) bond lengths are 2.49 Å. Both Ni(3)-Ga(3) bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 13-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Ni(2), and six equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. In the third Ga site, Ga(3) is bonded to two equivalent Mn(2), two equivalent Mn(3), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of distorted corner and edge-sharing GaMn4Ni8 cuboctahedra.