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Title: Materials Data on SrPuO4 by Materials Project

Abstract

SrPuO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.54 Å) and two longer (2.59 Å) Sr–O bond lengths. Pu6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (1.97 Å) and six longer (2.33 Å) Pu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one Pu6+ atom to form a mixture of distorted corner and edge-sharing OSr3Pu tetrahedra. In the second O2- site, O2- is bonded to one Sr2+ and three equivalent Pu6+ atoms to form a mixture of distorted corner and edge-sharing OSrPu3 tetrahedra.

Publication Date:
Other Number(s):
mp-8146
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; SrPuO4; O-Pu-Sr
OSTI Identifier:
1282252
DOI:
10.17188/1282252

Citation Formats

The Materials Project. Materials Data on SrPuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282252.
The Materials Project. Materials Data on SrPuO4 by Materials Project. United States. doi:10.17188/1282252.
The Materials Project. 2020. "Materials Data on SrPuO4 by Materials Project". United States. doi:10.17188/1282252. https://www.osti.gov/servlets/purl/1282252. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282252,
title = {Materials Data on SrPuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrPuO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.54 Å) and two longer (2.59 Å) Sr–O bond lengths. Pu6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (1.97 Å) and six longer (2.33 Å) Pu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one Pu6+ atom to form a mixture of distorted corner and edge-sharing OSr3Pu tetrahedra. In the second O2- site, O2- is bonded to one Sr2+ and three equivalent Pu6+ atoms to form a mixture of distorted corner and edge-sharing OSrPu3 tetrahedra.},
doi = {10.17188/1282252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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