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Title: Materials Data on YPO6 by Materials Project

Abstract

YPO6 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two YPO6 sheets oriented in the (0, 1, 0) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.25–3.12 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one Y and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a water-like geometry to one Y and one P atom.

Authors:
Publication Date:
Other Number(s):
mp-1207740
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; YPO6; O-P-Y
OSTI Identifier:
1687890
DOI:
https://doi.org/10.17188/1687890

Citation Formats

The Materials Project. Materials Data on YPO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687890.
The Materials Project. Materials Data on YPO6 by Materials Project. United States. doi:https://doi.org/10.17188/1687890
The Materials Project. 2020. "Materials Data on YPO6 by Materials Project". United States. doi:https://doi.org/10.17188/1687890. https://www.osti.gov/servlets/purl/1687890. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687890,
title = {Materials Data on YPO6 by Materials Project},
author = {The Materials Project},
abstractNote = {YPO6 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two YPO6 sheets oriented in the (0, 1, 0) direction. Y is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.25–3.12 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one Y and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a water-like geometry to one Y and one P atom.},
doi = {10.17188/1687890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}