U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4CrO3 by Materials Project
Abstract
Na4CrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.38 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.34–2.59 Å. Cr2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cr–O bond distances ranging from 1.93–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-849604
- 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; Na4CrO3; Cr-Na-O
- OSTI Identifier:
- 1308350
- DOI:
- https://doi.org/10.17188/1308350
Citation Formats
The Materials Project. Materials Data on Na4CrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308350.
The Materials Project. Materials Data on Na4CrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1308350
The Materials Project. 2020.
"Materials Data on Na4CrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1308350. https://www.osti.gov/servlets/purl/1308350. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1308350,
title = {Materials Data on Na4CrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4CrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.38 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.34–2.59 Å. Cr2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cr–O bond distances ranging from 1.93–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr2+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Cr2+ atom to form corner-sharing ONa5Cr octahedra. The corner-sharing octahedral tilt angles are 62°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr2+ atom.},
doi = {10.17188/1308350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}