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Title: Materials Data on SrUO4 by Materials Project

Abstract

SrUO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO8 hexagonal bipyramids and edges with six equivalent SrO6 octahedra. All Sr–O bond lengths are 2.55 Å. U6+ is bonded to eight O2- atoms to form distorted UO8 hexagonal bipyramids that share corners with six equivalent SrO6 octahedra and edges with six equivalent UO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 62–63°. There are a spread of U–O bond distances ranging from 2.02–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one U6+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms.

Publication Date:
Other Number(s):
mp-1179373
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; SrUO4; O-Sr-U
OSTI Identifier:
1759627
DOI:
https://doi.org/10.17188/1759627

Citation Formats

The Materials Project. Materials Data on SrUO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759627.
The Materials Project. Materials Data on SrUO4 by Materials Project. United States. doi:https://doi.org/10.17188/1759627
The Materials Project. 2020. "Materials Data on SrUO4 by Materials Project". United States. doi:https://doi.org/10.17188/1759627. https://www.osti.gov/servlets/purl/1759627. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759627,
title = {Materials Data on SrUO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrUO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent UO8 hexagonal bipyramids and edges with six equivalent SrO6 octahedra. All Sr–O bond lengths are 2.55 Å. U6+ is bonded to eight O2- atoms to form distorted UO8 hexagonal bipyramids that share corners with six equivalent SrO6 octahedra and edges with six equivalent UO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 62–63°. There are a spread of U–O bond distances ranging from 2.02–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one U6+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms.},
doi = {10.17188/1759627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}