U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsHIF7 by Materials Project
Abstract
CsHIF7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to one H1+ and ten F1- atoms. The Cs–H bond length is 3.07 Å. There are a spread of Cs–F bond distances ranging from 2.99–3.35 Å. H1+ is bonded in a linear geometry to one Cs1+ and two F1- atoms. There is one shorter (1.02 Å) and one longer (1.36 Å) H–F bond length. I5+ is bonded in a 5-coordinate geometry to seven F1- atoms. There are a spread of I–F bond distances ranging from 1.90–2.57 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one H1+ and two equivalent I5+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one I5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one I5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-699173
- 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; CsHIF7; Cs-F-H-I
- OSTI Identifier:
- 1285458
- DOI:
- https://doi.org/10.17188/1285458
Citation Formats
The Materials Project. Materials Data on CsHIF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285458.
The Materials Project. Materials Data on CsHIF7 by Materials Project. United States. doi:https://doi.org/10.17188/1285458
The Materials Project. 2020.
"Materials Data on CsHIF7 by Materials Project". United States. doi:https://doi.org/10.17188/1285458. https://www.osti.gov/servlets/purl/1285458. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285458,
title = {Materials Data on CsHIF7 by Materials Project},
author = {The Materials Project},
abstractNote = {CsHIF7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to one H1+ and ten F1- atoms. The Cs–H bond length is 3.07 Å. There are a spread of Cs–F bond distances ranging from 2.99–3.35 Å. H1+ is bonded in a linear geometry to one Cs1+ and two F1- atoms. There is one shorter (1.02 Å) and one longer (1.36 Å) H–F bond length. I5+ is bonded in a 5-coordinate geometry to seven F1- atoms. There are a spread of I–F bond distances ranging from 1.90–2.57 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one H1+ and two equivalent I5+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one I5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one I5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one I5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one I5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one I5+ atom.},
doi = {10.17188/1285458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}