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Title: 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.

Publication Date:
Other Number(s):
mp-1196598
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}