Mg2Ni is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms.
Mg2Ni is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. Both Mg(1)-Ni(1) bond lengths are 2.66 Å. Both Mg(1)-Ni(2) bond lengths are 2.66 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. Both Mg(2)-Ni(1) bond lengths are 2.63 Å. Both Mg(2)-Ni(2) bond lengths are 2.64 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(2) atoms. Both Ni(1)-Ni(2) bond lengths are 2.58 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms.