Materials Data on Dy(BiO2)3 by Materials Project
Abstract
Dy(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Dy–O bond lengths are 2.29 Å. In the second Dy3+ site, Dy3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Dy–O bond lengths are 2.28 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Dy3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ODyBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Dy3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ODyBi3 trigonal pyramids.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-769364
- 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; Dy(BiO2)3; Bi-Dy-O
- OSTI Identifier:
- 1298728
- DOI:
- 10.17188/1298728
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Dy(BiO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298728.
Persson, Kristin, & Project, Materials. Materials Data on Dy(BiO2)3 by Materials Project. United States. doi:10.17188/1298728.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on Dy(BiO2)3 by Materials Project". United States. doi:10.17188/1298728. https://www.osti.gov/servlets/purl/1298728. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298728,
title = {Materials Data on Dy(BiO2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Dy(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Dy–O bond lengths are 2.29 Å. In the second Dy3+ site, Dy3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Dy–O bond lengths are 2.28 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Dy3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ODyBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Dy3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing ODyBi3 trigonal pyramids.},
doi = {10.17188/1298728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}