DOI: 10.17188/1288903
title: Materials Data on La2Bi4O9 by Materials Project

description: Bi4La2O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.83 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.67 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–3.00 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.59 Å. In the third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–3.09 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.90 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 trigonal pyramids that share corners with seven OLa3Bi tetrahedra, corners with two equivalent OLaBi3 trigonal pyramids, and edges with three OLa3Bi tetrahedra. In the second O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form OLa3Bi tetrahedra that share corners with nine OLa3Bi tetrahedra, corners with two equivalent OLaBi3 trigonal pyramids, edges with five OLa3Bi tetrahedra, and an edgeedge with one OLaBi3 trigonal pyramid. In the third O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form OLa3Bi tetrahedra that share corners with ten OLa3Bi tetrahedra, corners with two equivalent OLaBi3 trigonal pyramids, edges with three OLa3Bi tetrahedra, and an edgeedge with one OLaBi3 trigonal pyramid. In the fourth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 trigonal pyramids that share corners with four OLa3Bi tetrahedra, corners with two equivalent OLaBi3 trigonal pyramids, and edges with three OLa3Bi tetrahedra. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the sixth O2- site, O2- is bonded to one La3+ and three Bi3+ atoms to form distorted OLaBi3 tetrahedra that share corners with five OLa3Bi tetrahedra, corners with five OLaBi3 trigonal pyramids, and edges with three OLa3Bi tetrahedra. In the seventh O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form OLa3Bi tetrahedra that share corners with eleven OLa3Bi tetrahedra, a cornercorner with one OLaBi3 trigonal pyramid, edges with three OLa3Bi tetrahedra, and edges with two equivalent OLaBi3 trigonal pyramids. In the eighth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form OLa3Bi tetrahedra that share corners with nine OLa3Bi tetrahedra, a cornercorner with one OLaBi3 trigonal pyramid, edges with four OLa3Bi tetrahedra, and edges with two equivalent OLaBi3 trigonal pyramids. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+ and three Bi3+ atoms.