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Title: Materials Data on YNO4 by Materials Project

Abstract

YONO3 crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one YONO3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.61 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.21 Å) and two longer (1.31 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Y3+ and one N5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1216049
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; YNO4; N-O-Y
OSTI Identifier:
1758429
DOI:
https://doi.org/10.17188/1758429

Citation Formats

The Materials Project. Materials Data on YNO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758429.
The Materials Project. Materials Data on YNO4 by Materials Project. United States. doi:https://doi.org/10.17188/1758429
The Materials Project. 2020. "Materials Data on YNO4 by Materials Project". United States. doi:https://doi.org/10.17188/1758429. https://www.osti.gov/servlets/purl/1758429. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758429,
title = {Materials Data on YNO4 by Materials Project},
author = {The Materials Project},
abstractNote = {YONO3 crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one YONO3 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.61 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.21 Å) and two longer (1.31 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Y3+ and one N5+ atom.},
doi = {10.17188/1758429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}