U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbCrH8(NO4)2 by Materials Project
Abstract
RbCrO8(NH4)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of four ammonium molecules and one RbCrO8 framework. In the RbCrO8 framework, Rb1+ is bonded to eight O2- atoms to form RbO8 hexagonal bipyramids that share corners with four equivalent CrO8 hexagonal bipyramids and edges with two equivalent CrO8 hexagonal bipyramids. There are four shorter (3.01 Å) and four longer (3.10 Å) Rb–O bond lengths. Cr5+ is bonded to eight O2- atoms to form distorted CrO8 hexagonal bipyramids that share corners with four equivalent RbO8 hexagonal bipyramids and edges with two equivalent RbO8 hexagonal bipyramids. There is four shorter (1.92 Å) and four longer (1.98 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Cr5+, and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Cr5+, and one O2- atom.
- Publication Date:
- Other Number(s):
- mp-1209231
- 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; Cr-H-N-O-Rb; RbCrH8(NO4)2; crystal structure
- OSTI Identifier:
- 1679164
- DOI:
- https://doi.org/10.17188/1679164
Citation Formats
Materials Data on RbCrH8(NO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1679164.
Materials Data on RbCrH8(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679164
2019.
"Materials Data on RbCrH8(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679164. https://www.osti.gov/servlets/purl/1679164. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1679164,
title = {Materials Data on RbCrH8(NO4)2 by Materials Project},
abstractNote = {RbCrO8(NH4)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of four ammonium molecules and one RbCrO8 framework. In the RbCrO8 framework, Rb1+ is bonded to eight O2- atoms to form RbO8 hexagonal bipyramids that share corners with four equivalent CrO8 hexagonal bipyramids and edges with two equivalent CrO8 hexagonal bipyramids. There are four shorter (3.01 Å) and four longer (3.10 Å) Rb–O bond lengths. Cr5+ is bonded to eight O2- atoms to form distorted CrO8 hexagonal bipyramids that share corners with four equivalent RbO8 hexagonal bipyramids and edges with two equivalent RbO8 hexagonal bipyramids. There is four shorter (1.92 Å) and four longer (1.98 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Cr5+, and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Cr5+, and one O2- atom.},
doi = {10.17188/1679164},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}