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Title: Materials Data on SrAsH3O5 by Materials Project

Abstract

SrAsH3O5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Sr–H bond length is 2.76 Å. There are a spread of Sr–O bond distances ranging from 2.56–2.96 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and two O2- atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one As5+, and one H1+ atom. In the secondmore » O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one As5+ atom.« less

Publication Date:
Other Number(s):
mp-510709
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; SrAsH3O5; As-H-O-Sr
OSTI Identifier:
1263061
DOI:
https://doi.org/10.17188/1263061

Citation Formats

The Materials Project. Materials Data on SrAsH3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263061.
The Materials Project. Materials Data on SrAsH3O5 by Materials Project. United States. doi:https://doi.org/10.17188/1263061
The Materials Project. 2020. "Materials Data on SrAsH3O5 by Materials Project". United States. doi:https://doi.org/10.17188/1263061. https://www.osti.gov/servlets/purl/1263061. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1263061,
title = {Materials Data on SrAsH3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAsH3O5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Sr–H bond length is 2.76 Å. There are a spread of Sr–O bond distances ranging from 2.56–2.96 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and two O2- atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one As5+, and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one As5+ atom.},
doi = {10.17188/1263061},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}