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Title: Materials Data on CaZn2(PO)2 by Materials Project

Abstract

CaZn2(PO)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaZn2(PO)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent P1- atoms to form edge-sharing CaP6 octahedra. All Ca–P bond lengths are 3.12 Å. Zn2+ is bonded in a distorted single-bond geometry to one O2- atom. The Zn–O bond length is 1.93 Å. P1- is bonded in a single-bond geometry to three equivalent Ca2+ and one O2- atom. The P–O bond length is 1.55 Å. O2- is bonded in a linear geometry to one Zn2+ and one P1- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-634817
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; CaZn2(PO)2; Ca-O-P-Zn
OSTI Identifier:
1279483
DOI:
10.17188/1279483

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaZn2(PO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279483.
Persson, Kristin, & Project, Materials. Materials Data on CaZn2(PO)2 by Materials Project. United States. doi:10.17188/1279483.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CaZn2(PO)2 by Materials Project". United States. doi:10.17188/1279483. https://www.osti.gov/servlets/purl/1279483. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1279483,
title = {Materials Data on CaZn2(PO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaZn2(PO)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaZn2(PO)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent P1- atoms to form edge-sharing CaP6 octahedra. All Ca–P bond lengths are 3.12 Å. Zn2+ is bonded in a distorted single-bond geometry to one O2- atom. The Zn–O bond length is 1.93 Å. P1- is bonded in a single-bond geometry to three equivalent Ca2+ and one O2- atom. The P–O bond length is 1.55 Å. O2- is bonded in a linear geometry to one Zn2+ and one P1- atom.},
doi = {10.17188/1279483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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