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Title: Materials Data on BH(PbO2)2 by Materials Project

Abstract

BH(PbO2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.32 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.28 Å) and two longer (2.34 Å) Pb–O bond lengths. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one B3+, one Pb2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one B3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and one Pb2+ atom. In the fourthmore » O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1105235
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BH(PbO2)2; B-H-O-Pb
OSTI Identifier:
1667031
DOI:
https://doi.org/10.17188/1667031

Citation Formats

The Materials Project. Materials Data on BH(PbO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667031.
The Materials Project. Materials Data on BH(PbO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667031
The Materials Project. 2020. "Materials Data on BH(PbO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667031. https://www.osti.gov/servlets/purl/1667031. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1667031,
title = {Materials Data on BH(PbO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BH(PbO2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.32 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.28 Å) and two longer (2.34 Å) Pb–O bond lengths. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one B3+, one Pb2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one B3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra.},
doi = {10.17188/1667031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}