CaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form a mixture of face and corner-sharing CaMg10Ni2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and one Ni(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Ni(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.
CaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form a mixture of face and corner-sharing CaMg10Ni2 cuboctahedra. Both Ca(1)-Mg(3) bond lengths are 3.17 Å. All Ca(1)-Mg(1) bond lengths are 3.34 Å. All Ca(1)-Mg(2) bond lengths are 3.23 Å. Both Ca(1)-Ni(1) bond lengths are 3.15 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(4), and one Ni(1) atom. Both Mg(1)-Mg(2) bond lengths are 3.09 Å. Both Mg(1)-Mg(4) bond lengths are 3.34 Å. The Mg(1)-Ni(1) bond length is 2.80 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Ni(1) atoms. The Mg(2)-Mg(3) bond length is 3.19 Å. The Mg(2)-Mg(4) bond length is 3.06 Å. There is one shorter (2.96 Å) and one longer (3.21 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-Ni(1) bond lengths are 3.00 Å. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. Both Mg(3)-Mg(4) bond lengths are 3.12 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ni(1) atoms. Both Mg(4)-Ni(1) bond lengths are 3.29 Å. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.