U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrH9ClO5 by Materials Project
Abstract
(SrH9O5)2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and one SrH9O5 sheet oriented in the (0, 1, 0) direction. In the SrH9O5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.75 Å. There are nine 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 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth 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 fifth 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 sixth H1+ site, H1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-541339
- 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; SrH9ClO5; Cl-H-O-Sr
- OSTI Identifier:
- 1265063
- DOI:
- https://doi.org/10.17188/1265063
Citation Formats
The Materials Project. Materials Data on SrH9ClO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265063.
The Materials Project. Materials Data on SrH9ClO5 by Materials Project. United States. doi:https://doi.org/10.17188/1265063
The Materials Project. 2020.
"Materials Data on SrH9ClO5 by Materials Project". United States. doi:https://doi.org/10.17188/1265063. https://www.osti.gov/servlets/purl/1265063. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1265063,
title = {Materials Data on SrH9ClO5 by Materials Project},
author = {The Materials Project},
abstractNote = {(SrH9O5)2Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and one SrH9O5 sheet oriented in the (0, 1, 0) direction. In the SrH9O5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.75 Å. There are nine 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 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.58 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth 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 fifth 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 sixth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.61 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.64 Å) H–O bond length. In the eighth 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 ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sr2+ and three H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and four H1+ atoms.},
doi = {10.17188/1265063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}