Materials Data on K2Cr2O5 by Materials Project
Abstract
K2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.28 Å. There are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 1.77–2.57 Å. In the second Cr4+ site, Cr4+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.77–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Cr4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Cr4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1076696
- 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; K2Cr2O5; Cr-K-O
- OSTI Identifier:
- 1475628
- DOI:
- https://doi.org/10.17188/1475628
Citation Formats
The Materials Project. Materials Data on K2Cr2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1475628.
The Materials Project. Materials Data on K2Cr2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1475628
The Materials Project. 2020.
"Materials Data on K2Cr2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1475628. https://www.osti.gov/servlets/purl/1475628. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1475628,
title = {Materials Data on K2Cr2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.28 Å. There are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 1.77–2.57 Å. In the second Cr4+ site, Cr4+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.77–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Cr4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Cr4+ atoms.},
doi = {10.17188/1475628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}