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Title: Materials Data on SrH2 by Materials Project

Abstract

SrH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.42–2.82 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sr2+ atoms to form HSr4 tetrahedra that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with two equivalent HSr4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Sr2+ atoms to form distorted HSr5 square pyramids that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with six equivalent HSr4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-23714
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrH2; H-Sr
OSTI Identifier:
1199682
DOI:
https://doi.org/10.17188/1199682

Citation Formats

The Materials Project. Materials Data on SrH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199682.
The Materials Project. Materials Data on SrH2 by Materials Project. United States. doi:https://doi.org/10.17188/1199682
The Materials Project. 2020. "Materials Data on SrH2 by Materials Project". United States. doi:https://doi.org/10.17188/1199682. https://www.osti.gov/servlets/purl/1199682. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199682,
title = {Materials Data on SrH2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Sr–H bond distances ranging from 2.42–2.82 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Sr2+ atoms to form HSr4 tetrahedra that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with two equivalent HSr4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Sr2+ atoms to form distorted HSr5 square pyramids that share corners with eight equivalent HSr5 square pyramids, corners with eight equivalent HSr4 tetrahedra, edges with six equivalent HSr5 square pyramids, and edges with six equivalent HSr4 tetrahedra.},
doi = {10.17188/1199682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}