Materials Data on LaMg by Materials Project

MgLa crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Mg and seven La atoms. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–La bond distances ranging from 3.43–3.62 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and six La atoms. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–La bond distances ranging from 3.52–3.68 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Mg and seven La atoms. There are a spread of Mg–La bond distances ranging from 3.47–3.67 Å. There are three inequivalent La sites. In the first La site, La is bonded to six Mg and six La atoms to form distorted LaLa6Mg6 cuboctahedra that share corners with twelve LaLa6Mg6 cuboctahedra, edges with nine LaLa5Mg7 cuboctahedra, and faces with eight LaLa6Mg6 cuboctahedra. There are a spread of La–La bond distances ranging from 3.31–3.57 Å. In the second La site, La is bonded to seven Mg and five La atoms to form distorted LaLa5Mg7 cuboctahedra that share corners with six equivalent LaLa5Mg7 cuboctahedra, edges with ten LaLa6Mg6 cuboctahedra, and faces with nine LaLa6Mg6 cuboctahedra. There are one shorter (3.54 Å) and two longer (3.57 Å) La–La bond lengths. In the third La site, La is bonded to seven Mg and five La atoms to form distorted LaLa5Mg7 cuboctahedra that share corners with twelve LaLa6Mg6 cuboctahedra, edges with seven LaLa5Mg7 cuboctahedra, and faces with nine LaLa6Mg6 cuboctahedra. Both La–La bond lengths are 3.57 Å.