U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2In(PO4)2 by Materials Project
Abstract
Li2In(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.32 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.20 Å) In–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 28–57°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Li and one P atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Li, one In, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210850
- 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; Li2In(PO4)2; In-Li-O-P
- OSTI Identifier:
- 1672624
- DOI:
- https://doi.org/10.17188/1672624
Citation Formats
The Materials Project. Materials Data on Li2In(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672624.
The Materials Project. Materials Data on Li2In(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672624
The Materials Project. 2020.
"Materials Data on Li2In(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672624. https://www.osti.gov/servlets/purl/1672624. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672624,
title = {Materials Data on Li2In(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2In(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 1.94–2.32 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.20 Å) In–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 28–57°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one In, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Li and one P atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Li, one In, and one P atom.},
doi = {10.17188/1672624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}