U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2Zn(HO)6 by Materials Project
Abstract
Sr2Zn(HO3)2(H2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen molecules and one Sr2Zn(HO3)2 sheet oriented in the (-1, 0, 2) direction. In the Sr2Zn(HO3)2 sheet, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.60 Å. Zn2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.57 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Zn2+, and one O2- atom. The O–O bond length is 1.54 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Zn2+, and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Zn2+, and one O2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-723483
- 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; Sr2Zn(HO)6; H-O-Sr-Zn
- OSTI Identifier:
- 1287606
- DOI:
- https://doi.org/10.17188/1287606
Citation Formats
The Materials Project. Materials Data on Sr2Zn(HO)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287606.
The Materials Project. Materials Data on Sr2Zn(HO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1287606
The Materials Project. 2020.
"Materials Data on Sr2Zn(HO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1287606. https://www.osti.gov/servlets/purl/1287606. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1287606,
title = {Materials Data on Sr2Zn(HO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Zn(HO3)2(H2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen molecules and one Sr2Zn(HO3)2 sheet oriented in the (-1, 0, 2) direction. In the Sr2Zn(HO3)2 sheet, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.60 Å. Zn2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.96–2.57 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Zn2+, and one O2- atom. The O–O bond length is 1.54 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Zn2+, and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Zn2+, and one O2- atom.},
doi = {10.17188/1287606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}