U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSbPO5 by Materials Project
Abstract
LiSbPO5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.23 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Sb–O bond distances ranging from 2.03–2.34 Å. P4+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sb5+, and one P4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sb5+, and one P4+ atom. In the fourth O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-761687
- 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; LiSbPO5; Li-O-P-Sb
- OSTI Identifier:
- 1292205
- DOI:
- https://doi.org/10.17188/1292205
Citation Formats
The Materials Project. Materials Data on LiSbPO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292205.
The Materials Project. Materials Data on LiSbPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1292205
The Materials Project. 2020.
"Materials Data on LiSbPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1292205. https://www.osti.gov/servlets/purl/1292205. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1292205,
title = {Materials Data on LiSbPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSbPO5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.23 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Sb–O bond distances ranging from 2.03–2.34 Å. P4+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sb5+, and one P4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sb5+, and one P4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sb5+, and one P4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P4+ atom.},
doi = {10.17188/1292205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}