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Title: Materials Data on Dy3Se4O12F by Materials Project

Abstract

Dy3(SeO3)4F crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Dy–O bond distances ranging from 2.35–2.56 Å. The Dy–F bond length is 2.36 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.72 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Dy3+ atoms.

Publication Date:
Other Number(s):
mp-555217
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; Dy3Se4O12F; Dy-F-O-Se
OSTI Identifier:
1268691
DOI:
10.17188/1268691

Citation Formats

The Materials Project. Materials Data on Dy3Se4O12F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268691.
The Materials Project. Materials Data on Dy3Se4O12F by Materials Project. United States. doi:10.17188/1268691.
The Materials Project. 2020. "Materials Data on Dy3Se4O12F by Materials Project". United States. doi:10.17188/1268691. https://www.osti.gov/servlets/purl/1268691. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1268691,
title = {Materials Data on Dy3Se4O12F by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3(SeO3)4F crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Dy–O bond distances ranging from 2.35–2.56 Å. The Dy–F bond length is 2.36 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.72 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Se4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Dy3+ atoms.},
doi = {10.17188/1268691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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