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Title: Materials Data on UTe2PbO8 by Materials Project

Abstract

UPbTe2O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.68 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.08 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.31 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometrymore » to one Pb2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent U6+ and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-555259
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; UTe2PbO8; O-Pb-Te-U
OSTI Identifier:
1268714
DOI:
10.17188/1268714

Citation Formats

The Materials Project. Materials Data on UTe2PbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268714.
The Materials Project. Materials Data on UTe2PbO8 by Materials Project. United States. doi:10.17188/1268714.
The Materials Project. 2020. "Materials Data on UTe2PbO8 by Materials Project". United States. doi:10.17188/1268714. https://www.osti.gov/servlets/purl/1268714. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268714,
title = {Materials Data on UTe2PbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {UPbTe2O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.87–2.68 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.08 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. In the second Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.31 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Pb2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent U6+ and one Te4+ atom.},
doi = {10.17188/1268714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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