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 1-coordinate geometry to one H and nine O atoms. The Sr–H bond length is 2.66 Å. There are a spread of Sr–O bond distances ranging from 2.61–3.06 Å. There are four inequivalent H sites. In the first 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 second H site, H is bonded in a single-bond geometry to one Sr and 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 one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.55 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 one Sr and two H atoms. In the second O site, O is bonded in a single-bond geometry to two equivalent Sr, one H, and one O atom.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-625871
- 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:
- 1278502
- DOI:
- https://doi.org/10.17188/1278502
Citation Formats
The Materials Project. Materials Data on Sr(H2O3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278502.
The Materials Project. Materials Data on Sr(H2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278502
The Materials Project. 2020.
"Materials Data on Sr(H2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278502. https://www.osti.gov/servlets/purl/1278502. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278502,
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 1-coordinate geometry to one H and nine O atoms. The Sr–H bond length is 2.66 Å. There are a spread of Sr–O bond distances ranging from 2.61–3.06 Å. There are four inequivalent H sites. In the first 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 second H site, H is bonded in a single-bond geometry to one Sr and 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 one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.55 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 one Sr and two H atoms. In the second O site, O is bonded in a single-bond geometry to two equivalent Sr, one H, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a single-bond geometry to two equivalent Sr and one H atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr and one O atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Sr, one H, and one O atom. The O–O bond length is 1.32 Å. In the sixth O site, O is bonded in a 1-coordinate geometry to one Sr and one O atom.},
doi = {10.17188/1278502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}