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Title: Materials Data on BePbF4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1751584· OSTI ID:1751584

BePbF4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two BePbF4 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. Pb2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Pb–F bond distances ranging from 2.34–2.48 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Pb2+ 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:
1751584
Report Number(s):
mp-1182129
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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