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Title: Materials Data on PbWO4 by Materials Project

Abstract

PbWO4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.36 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.37 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.81 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.82 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms.more » In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-641365
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; PbWO4; O-Pb-W
OSTI Identifier:
1280026
DOI:
10.17188/1280026

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PbWO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280026.
Persson, Kristin, & Project, Materials. Materials Data on PbWO4 by Materials Project. United States. doi:10.17188/1280026.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PbWO4 by Materials Project". United States. doi:10.17188/1280026. https://www.osti.gov/servlets/purl/1280026. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1280026,
title = {Materials Data on PbWO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PbWO4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.36 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.83–2.37 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.81 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.82 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two W6+ and two Pb2+ atoms.},
doi = {10.17188/1280026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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