Materials Data on La2PbF8 by Materials Project
La2PbF8 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 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.37–2.72 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.38–2.83 Å. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.92 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent La3+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three La3+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two La3+ and one Pb2+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms. In the sixth F1- site, F1- is bonded to three La3+ and one Pb2+ atom to form distorted corner-sharing FLa3Pb tetrahedra. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Pb2+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to one La3+ and two equivalent Pb2+ atoms.
- 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:
- 1283175
- Report Number(s):
- mp-676816
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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