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Title: Materials Data on Dy5B2(O2F3)3 by Materials Project

Abstract

Dy5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.58 Å. There are a spread of Dy–F bond distances ranging from 2.22–2.42 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to three O2- and five F1- atoms. There are two shorter (2.34 Å) and one longer (2.44 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.24–2.52 Å. In the third Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are two shorter (2.35 Å) and two longer (2.38 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.30–2.62 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+more » atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Dy3+ atoms.« less

Publication Date:
Other Number(s):
mp-1203431
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; Dy5B2(O2F3)3; B-Dy-F-O
OSTI Identifier:
1724755
DOI:
https://doi.org/10.17188/1724755

Citation Formats

The Materials Project. Materials Data on Dy5B2(O2F3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724755.
The Materials Project. Materials Data on Dy5B2(O2F3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1724755
The Materials Project. 2019. "Materials Data on Dy5B2(O2F3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1724755. https://www.osti.gov/servlets/purl/1724755. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1724755,
title = {Materials Data on Dy5B2(O2F3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.58 Å. There are a spread of Dy–F bond distances ranging from 2.22–2.42 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to three O2- and five F1- atoms. There are two shorter (2.34 Å) and one longer (2.44 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.24–2.52 Å. In the third Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are two shorter (2.35 Å) and two longer (2.38 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.30–2.62 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Dy3+ atoms.},
doi = {10.17188/1724755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}