Materials Data on La3MgBi5 by Materials Project
La3MgBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Bi atoms to form face-sharing MgBi6 octahedra. All Mg–Bi bond lengths are 3.10 Å. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.34–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to two equivalent Mg and five equivalent La atoms to form a mixture of distorted corner, edge, and face-sharing BiLa5Mg2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.
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