CaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing CaMg10Ni2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), and two equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent Mg(4), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.
CaMg6Ni crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing CaMg10Ni2 cuboctahedra. Both Ca(1)-Mg(2) bond lengths are 3.15 Å. There are two shorter (3.09 Å) and two longer (3.58 Å) Ca(1)-Mg(1) bond lengths. All Ca(1)-Mg(3) bond lengths are 3.33 Å. Both Ca(1)-Ni(1) bond lengths are 3.19 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), and two equivalent Ni(1) atoms. Both Mg(1)-Mg(4) bond lengths are 3.17 Å. Both Mg(1)-Ni(1) bond lengths are 2.95 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent Mg(4) atoms. Both Mg(2)-Mg(4) bond lengths are 3.09 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent Mg(4), and one Ni(1) atom. There is one shorter (3.27 Å) and one longer (3.40 Å) Mg(3)-Mg(4) bond length. The Mg(3)-Ni(1) bond length is 2.73 Å. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms. Both Mg(4)-Ni(1) bond lengths are 3.18 Å. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.