U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2CrH2Cl5O by Materials Project
Abstract
Rb2CrH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.92 Å. Cr3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The Cr–O bond length is 2.08 Å. There are a spread of Cr–Cl bond distances ranging from 2.37–2.40 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted trigonal planar geometry to one Cr3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Cr3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Cr3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr3+ atom.
- Publication Date:
- Other Number(s):
- mp-744208
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Cr-H-O-Rb; Rb2CrH2Cl5O; crystal structure
- OSTI Identifier:
- 1288204
- DOI:
- https://doi.org/10.17188/1288204
Citation Formats
Materials Data on Rb2CrH2Cl5O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288204.
Materials Data on Rb2CrH2Cl5O by Materials Project. United States. doi:https://doi.org/10.17188/1288204
2020.
"Materials Data on Rb2CrH2Cl5O by Materials Project". United States. doi:https://doi.org/10.17188/1288204. https://www.osti.gov/servlets/purl/1288204. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1288204,
title = {Materials Data on Rb2CrH2Cl5O by Materials Project},
abstractNote = {Rb2CrH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.92 Å. Cr3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The Cr–O bond length is 2.08 Å. There are a spread of Cr–Cl bond distances ranging from 2.37–2.40 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted trigonal planar geometry to one Cr3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Cr3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Cr3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr3+ atom.},
doi = {10.17188/1288204},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}