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Title: Materials Data on SrU2S5 by Materials Project

Abstract

SrU2S5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 2.99–3.56 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.98 Å. In the second U4+ site, U4+ is bonded to seven S2- atoms to form distorted edge-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.67–2.85 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to four U4+ atoms to form distorted SU4 trigonal pyramids that share corners with four equivalent SSr2U3 square pyramids, corners with two equivalent SSr2U3 trigonal bipyramids, corners with two equivalent SU4 trigonal pyramids, an edgeedge with one SSr2U3 square pyramid, edges with two equivalent SSr2U3 trigonal bipyramids, and an edgeedge with one SU4 trigonal pyramid. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three U4+ atoms to form distorted SSr2U3 square pyramids that share corners with four equivalent SSr2U3 trigonal bipyramids,more » corners with four equivalent SU4 trigonal pyramids, edges with two equivalent SSr2U3 square pyramids, an edgeedge with one SSr2U3 trigonal bipyramid, an edgeedge with one SU4 trigonal pyramid, and a faceface with one SSr2U3 trigonal bipyramid. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three U4+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three U4+ atoms to form distorted SSr2U3 trigonal bipyramids that share corners with four equivalent SSr2U3 square pyramids, corners with four equivalent SSr2U3 trigonal bipyramids, corners with two equivalent SU4 trigonal pyramids, an edgeedge with one SSr2U3 square pyramid, edges with two equivalent SU4 trigonal pyramids, and a faceface with one SSr2U3 square pyramid. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent U4+ atoms.« less

Publication Date:
Other Number(s):
mp-1195141
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; SrU2S5; S-Sr-U
OSTI Identifier:
1685925
DOI:
https://doi.org/10.17188/1685925

Citation Formats

The Materials Project. Materials Data on SrU2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685925.
The Materials Project. Materials Data on SrU2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1685925
The Materials Project. 2020. "Materials Data on SrU2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1685925. https://www.osti.gov/servlets/purl/1685925. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685925,
title = {Materials Data on SrU2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrU2S5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 2.99–3.56 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.98 Å. In the second U4+ site, U4+ is bonded to seven S2- atoms to form distorted edge-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.67–2.85 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to four U4+ atoms to form distorted SU4 trigonal pyramids that share corners with four equivalent SSr2U3 square pyramids, corners with two equivalent SSr2U3 trigonal bipyramids, corners with two equivalent SU4 trigonal pyramids, an edgeedge with one SSr2U3 square pyramid, edges with two equivalent SSr2U3 trigonal bipyramids, and an edgeedge with one SU4 trigonal pyramid. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three U4+ atoms to form distorted SSr2U3 square pyramids that share corners with four equivalent SSr2U3 trigonal bipyramids, corners with four equivalent SU4 trigonal pyramids, edges with two equivalent SSr2U3 square pyramids, an edgeedge with one SSr2U3 trigonal bipyramid, an edgeedge with one SU4 trigonal pyramid, and a faceface with one SSr2U3 trigonal bipyramid. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three U4+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three U4+ atoms to form distorted SSr2U3 trigonal bipyramids that share corners with four equivalent SSr2U3 square pyramids, corners with four equivalent SSr2U3 trigonal bipyramids, corners with two equivalent SU4 trigonal pyramids, an edgeedge with one SSr2U3 square pyramid, edges with two equivalent SU4 trigonal pyramids, and a faceface with one SSr2U3 square pyramid. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and two equivalent U4+ atoms.},
doi = {10.17188/1685925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}