Materials Data on Cr2H8N2O7 by Materials Project
Abstract
(NH4)2Cr2O7 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Cr2O7 clusters. In each Cr2O7 cluster, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198067
- 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; Cr2H8N2O7; Cr-H-N-O
- OSTI Identifier:
- 1685878
- DOI:
- https://doi.org/10.17188/1685878
Citation Formats
The Materials Project. Materials Data on Cr2H8N2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685878.
The Materials Project. Materials Data on Cr2H8N2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1685878
The Materials Project. 2020.
"Materials Data on Cr2H8N2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1685878. https://www.osti.gov/servlets/purl/1685878. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685878,
title = {Materials Data on Cr2H8N2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)2Cr2O7 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Cr2O7 clusters. In each Cr2O7 cluster, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1685878},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}