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Title: Materials Data on Na7Cr2O6 by Materials Project

Abstract

Na7Cr2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.44 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.38 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.71 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 two shorter (2.43 Å) and two longer (2.47 Å) Na–O bond lengths. Cr+2.50+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (1.84 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Cr+2.50+more » atom to form distorted face-sharing ONa5Cr octahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr+2.50+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr+2.50+ atom.« less

Publication Date:
Other Number(s):
mp-850974
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na7Cr2O6; Cr-Na-O
OSTI Identifier:
1308876
DOI:
https://doi.org/10.17188/1308876

Citation Formats

The Materials Project. Materials Data on Na7Cr2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308876.
The Materials Project. Materials Data on Na7Cr2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1308876
The Materials Project. 2020. "Materials Data on Na7Cr2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1308876. https://www.osti.gov/servlets/purl/1308876. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1308876,
title = {Materials Data on Na7Cr2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na7Cr2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.32–2.44 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.38 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.71 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 two shorter (2.43 Å) and two longer (2.47 Å) Na–O bond lengths. Cr+2.50+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (1.84 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Cr+2.50+ atom to form distorted face-sharing ONa5Cr octahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr+2.50+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cr+2.50+ atom.},
doi = {10.17188/1308876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}