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Title: Materials Data on Dy(BrO2)3 by Materials Project

Abstract

Dy(O2Br)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Dy(O2Br)3 sheet oriented in the (0, 1, 0) direction. Dy3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.74 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.77 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a water-like geometry to two O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1181480
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; Dy(BrO2)3; Br-Dy-O
OSTI Identifier:
1684086
DOI:
https://doi.org/10.17188/1684086

Citation Formats

The Materials Project. Materials Data on Dy(BrO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684086.
The Materials Project. Materials Data on Dy(BrO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1684086
The Materials Project. 2020. "Materials Data on Dy(BrO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1684086. https://www.osti.gov/servlets/purl/1684086. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1684086,
title = {Materials Data on Dy(BrO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(O2Br)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Dy(O2Br)3 sheet oriented in the (0, 1, 0) direction. Dy3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.74 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.77 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a water-like geometry to two O2- atoms.},
doi = {10.17188/1684086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}