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Title: Materials Data on Sr(H9O5)2 by Materials Project

Abstract

(SrH17O9)2H2O2 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of four water molecules and two SrH17O9 sheets oriented in the (0, 0, 1) direction. In each SrH17O9 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.68 Å) Sr–O bond lengths. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2-more » is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to five H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-24312
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; Sr(H9O5)2; H-O-Sr
OSTI Identifier:
1200029
DOI:
https://doi.org/10.17188/1200029

Citation Formats

The Materials Project. Materials Data on Sr(H9O5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200029.
The Materials Project. Materials Data on Sr(H9O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1200029
The Materials Project. 2020. "Materials Data on Sr(H9O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1200029. https://www.osti.gov/servlets/purl/1200029. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1200029,
title = {Materials Data on Sr(H9O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(SrH17O9)2H2O2 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of four water molecules and two SrH17O9 sheets oriented in the (0, 0, 1) direction. In each SrH17O9 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.68 Å) Sr–O bond lengths. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to five H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms.},
doi = {10.17188/1200029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}