U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd(PO4)2 by Materials Project
Abstract
Cd(PO4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Cd atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196598
- 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; Cd(PO4)2; Cd-O-P
- OSTI Identifier:
- 1757631
- DOI:
- https://doi.org/10.17188/1757631
Citation Formats
The Materials Project. Materials Data on Cd(PO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1757631.
The Materials Project. Materials Data on Cd(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1757631
The Materials Project. 2020.
"Materials Data on Cd(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1757631. https://www.osti.gov/servlets/purl/1757631. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757631,
title = {Materials Data on Cd(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(PO4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Cd atom.},
doi = {10.17188/1757631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}