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Title: Materials Data on Sr(H2O3)2 by Materials Project

Abstract

Sr(H2O3)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.87 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.73 Å) H–O bond length. In the fourth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Sr and two H atoms. In the second O site, O is bonded in a 3-coordinate geometry to one Sr, one H, and onemore » O atom. The O–O bond length is 1.36 Å. In the third O site, O is bonded in a water-like geometry to two equivalent Sr and two H atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Sr, one H, and one O atom. The O–O bond length is 1.35 Å. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Sr, one H, and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179405
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; Sr(H2O3)2; H-O-Sr
OSTI Identifier:
1732588
DOI:
https://doi.org/10.17188/1732588

Citation Formats

The Materials Project. Materials Data on Sr(H2O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732588.
The Materials Project. Materials Data on Sr(H2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732588
The Materials Project. 2020. "Materials Data on Sr(H2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732588. https://www.osti.gov/servlets/purl/1732588. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1732588,
title = {Materials Data on Sr(H2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(H2O3)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.87 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.73 Å) H–O bond length. In the fourth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Sr and two H atoms. In the second O site, O is bonded in a 3-coordinate geometry to one Sr, one H, and one O atom. The O–O bond length is 1.36 Å. In the third O site, O is bonded in a water-like geometry to two equivalent Sr and two H atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Sr and one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Sr, one H, and one O atom. The O–O bond length is 1.35 Å. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Sr, one H, and one O atom.},
doi = {10.17188/1732588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}