U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiCdPO4 by Materials Project
Abstract
LiCdPO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent CdO6 octahedra, corners with two equivalent PO4 tetrahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent CdO6 octahedra, and edges with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–70°. There are a spread of Li–O bond distances ranging from 2.13–2.35 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent CdO6 octahedra, corners with four equivalent PO4 tetrahedra, edges with two equivalent LiO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–70°. There are a spread of Cd–O bond distances ranging from 2.26–2.41 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent CdO6 octahedra, an edgeedge with one CdO6 octahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of P–O bond distances rangingmore »
- Publication Date:
- Other Number(s):
- mp-9018
- 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; Cd-Li-O-P; crystal structure; LiCdPO4
- OSTI Identifier:
- 1312921
- DOI:
- https://doi.org/10.17188/1312921
Citation Formats
Materials Data on LiCdPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312921.
Materials Data on LiCdPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1312921
2020.
"Materials Data on LiCdPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1312921. https://www.osti.gov/servlets/purl/1312921. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1312921,
title = {Materials Data on LiCdPO4 by Materials Project},
abstractNote = {LiCdPO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent CdO6 octahedra, corners with two equivalent PO4 tetrahedra, edges with two equivalent LiO6 octahedra, edges with two equivalent CdO6 octahedra, and edges with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–70°. There are a spread of Li–O bond distances ranging from 2.13–2.35 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent CdO6 octahedra, corners with four equivalent PO4 tetrahedra, edges with two equivalent LiO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–70°. There are a spread of Cd–O bond distances ranging from 2.26–2.41 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent CdO6 octahedra, an edgeedge with one CdO6 octahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Cd2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Cd2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Cd2+, and one P5+ atom.},
doi = {10.17188/1312921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}