U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4Cr(PO4)2 by Materials Project
Abstract
Li4Cr(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.24 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.62 Å. Cr2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Cr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the third O2- site, O2- is bonded to two Li1+, one Cr2+, and one P5+ atom to form corner-sharing OLi2CrP trigonal pyramids. In the fourth O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1177450
- 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-Li-O-P; Li4Cr(PO4)2; crystal structure
- OSTI Identifier:
- 1715376
- DOI:
- https://doi.org/10.17188/1715376
Citation Formats
Materials Data on Li4Cr(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1715376.
Materials Data on Li4Cr(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1715376
2020.
"Materials Data on Li4Cr(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1715376. https://www.osti.gov/servlets/purl/1715376. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1715376,
title = {Materials Data on Li4Cr(PO4)2 by Materials Project},
abstractNote = {Li4Cr(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.24 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.62 Å. Cr2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Cr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one P5+ atom. In the third O2- site, O2- is bonded to two Li1+, one Cr2+, and one P5+ atom to form corner-sharing OLi2CrP trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Cr2+, and one P5+ atom.},
doi = {10.17188/1715376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}