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Title: Materials Data on Zr2Bi2O7 by Materials Project

Abstract

Bi2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Zr–O bond lengths are 2.12 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Zr4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra.

Publication Date:
Other Number(s):
mp-756175
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; Zr2Bi2O7; Bi-O-Zr
OSTI Identifier:
1290431
DOI:
10.17188/1290431

Citation Formats

The Materials Project. Materials Data on Zr2Bi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290431.
The Materials Project. Materials Data on Zr2Bi2O7 by Materials Project. United States. doi:10.17188/1290431.
The Materials Project. 2020. "Materials Data on Zr2Bi2O7 by Materials Project". United States. doi:10.17188/1290431. https://www.osti.gov/servlets/purl/1290431. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290431,
title = {Materials Data on Zr2Bi2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2Zr2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Zr–O bond lengths are 2.12 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.34 Å) and six longer (2.62 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Zr4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra.},
doi = {10.17188/1290431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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