Materials Data on La4Bi2O9 by Materials Project
La4Bi2O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with two equivalent LaO5 trigonal bipyramids and a cornercorner with one BiO4 trigonal pyramid. There are a spread of La–O bond distances ranging from 2.40–2.52 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.72 Å. In the third La3+ site, La3+ is bonded to five O2- atoms to form distorted LaO5 trigonal bipyramids that share corners with two equivalent LaO6 octahedra, corners with two equivalent BiO4 trigonal pyramids, and an edgeedge with one BiO4 trigonal pyramid. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of La–O bond distances ranging from 2.29–2.52 Å. In the fourth La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.59 Å. There are two inequivalent Bi3+ sites. In the first 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 2.17–2.59 Å. In the second Bi3+ site, Bi3+ is bonded to four O2- atoms to form BiO4 trigonal pyramids that share a cornercorner with one LaO6 octahedra, corners with two equivalent LaO5 trigonal bipyramids, and an edgeedge with one LaO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 57°. There are a spread of Bi–O bond distances ranging from 2.14–2.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the second O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLa3Bi tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the fifth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLa3Bi tetrahedra. In the sixth O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the seventh O2- site, O2- is bonded to three La3+ and one Bi3+ atom to form a mixture of edge and corner-sharing OLa3Bi tetrahedra. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to two La3+ and one Bi3+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1289173
- Report Number(s):
- mp-753883
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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