DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbH4O3 by Materials Project

Abstract

RbH4O3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two H and eight O atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 3.07–3.17 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to one Rb and two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a distorted single-bond geometry to one Rb and two O atoms. There is one shorter (1.01 Å) and one longer (1.65 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bondedmore » in a water-like geometry to four equivalent Rb and two equivalent H atoms. In the second O site, O is bonded in a water-like geometry to four equivalent Rb and two equivalent H atoms. In the third O site, O is bonded in a water-like geometry to four equivalent Rb and two H atoms. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to four H atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1219618
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; RbH4O3; H-O-Rb
OSTI Identifier:
1758038
DOI:
https://doi.org/10.17188/1758038

Citation Formats

The Materials Project. Materials Data on RbH4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758038.
The Materials Project. Materials Data on RbH4O3 by Materials Project. United States. doi:https://doi.org/10.17188/1758038
The Materials Project. 2020. "Materials Data on RbH4O3 by Materials Project". United States. doi:https://doi.org/10.17188/1758038. https://www.osti.gov/servlets/purl/1758038. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758038,
title = {Materials Data on RbH4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbH4O3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to two H and eight O atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 3.07–3.17 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to one Rb and two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a distorted single-bond geometry to one Rb and two O atoms. There is one shorter (1.01 Å) and one longer (1.65 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to four equivalent Rb and two equivalent H atoms. In the second O site, O is bonded in a water-like geometry to four equivalent Rb and two equivalent H atoms. In the third O site, O is bonded in a water-like geometry to four equivalent Rb and two H atoms. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to four H atoms.},
doi = {10.17188/1758038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}