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Title: Materials Data on Y2Bi2O7 by Materials Project

Abstract

Y2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.52 Å) Y–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Bi–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi4+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769359
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; Y2Bi2O7; Bi-O-Y
OSTI Identifier:
1298727
DOI:
10.17188/1298727

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y2Bi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298727.
Persson, Kristin, & Project, Materials. Materials Data on Y2Bi2O7 by Materials Project. United States. doi:10.17188/1298727.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Y2Bi2O7 by Materials Project". United States. doi:10.17188/1298727. https://www.osti.gov/servlets/purl/1298727. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298727,
title = {Materials Data on Y2Bi2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.52 Å) Y–O bond lengths. Bi4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Bi–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi4+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.},
doi = {10.17188/1298727},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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