Materials Data on La8(BiSb)3 by Materials Project

Abstract

La8(BiSb)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to three Bi and three Sb atoms. There are a spread of La–Bi bond distances ranging from 3.29–3.54 Å. There are a spread of La–Sb bond distances ranging from 3.23–3.49 Å. In the second La site, La is bonded in a 6-coordinate geometry to three Bi and three Sb atoms. There are a spread of La–Bi bond distances ranging from 3.28–3.53 Å. There are a spread of La–Sb bond distances ranging from 3.22–3.53 Å. In the third La site, La is bonded in a 6-coordinate geometry to three Bi and three Sb atoms. There are a spread of La–Bi bond distances ranging from 3.28–3.51 Å. There are a spread of La–Sb bond distances ranging from 3.24–3.51 Å. In the fourth La site, La is bonded in a 6-coordinate geometry to three Bi and three Sb atoms. There are a spread of La–Bi bond distances ranging from 3.29–3.55 Å. There are a spread of La–Sb bond distances ranging from 3.22–3.49 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to eight La atoms to form distorted BiLa8 hexagonal bipyramids that share corners with two equivalent BiLa8 hexagonal bipyramids, corners with six SbLa8 hexagonal bipyramids, edges with four equivalent BiLa8 hexagonal bipyramids, faces with two equivalent BiLa8 hexagonal bipyramids, and faces with six SbLa8 hexagonal bipyramids. In the second Bi site, Bi is bonded to eight La atoms to form distorted BiLa8 hexagonal bipyramids that share corners with four equivalent BiLa8 hexagonal bipyramids, corners with four equivalent SbLa8 hexagonal bipyramids, edges with four equivalent SbLa8 hexagonal bipyramids, faces with four equivalent BiLa8 hexagonal bipyramids, and faces with four equivalent SbLa8 hexagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to eight La atoms to form distorted SbLa8 hexagonal bipyramids that share corners with four equivalent BiLa8 hexagonal bipyramids, corners with four equivalent SbLa8 hexagonal bipyramids, edges with four equivalent BiLa8 hexagonal bipyramids, faces with four equivalent BiLa8 hexagonal bipyramids, and faces with four equivalent SbLa8 hexagonal bipyramids. In the second Sb site, Sb is bonded to eight La atoms to form distorted SbLa8 hexagonal bipyramids that share corners with two equivalent SbLa8 hexagonal bipyramids, corners with six BiLa8 hexagonal bipyramids, edges with four equivalent SbLa8 hexagonal bipyramids, faces with two equivalent SbLa8 hexagonal bipyramids, and faces with six BiLa8 hexagonal bipyramids.