skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on DySeO3 by Materials Project

Abstract

DySeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to seven O atoms to form distorted edge-sharing DyO7 pentagonal bipyramids. There are a spread of Dy–O bond distances ranging from 2.17–2.48 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Dy–O bond distances ranging from 2.11–2.47 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. In the second Se site, Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Se–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Dy and one Se atom. In the third O site, O is bonded inmore » a distorted trigonal planar geometry to two equivalent Dy and one Se atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Dy atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom.« less

Publication Date:
Other Number(s):
mp-769393
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; DySeO3; Dy-O-Se
OSTI Identifier:
1298741
DOI:
https://doi.org/10.17188/1298741

Citation Formats

The Materials Project. Materials Data on DySeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298741.
The Materials Project. Materials Data on DySeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1298741
The Materials Project. 2020. "Materials Data on DySeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1298741. https://www.osti.gov/servlets/purl/1298741. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298741,
title = {Materials Data on DySeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {DySeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to seven O atoms to form distorted edge-sharing DyO7 pentagonal bipyramids. There are a spread of Dy–O bond distances ranging from 2.17–2.48 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Dy–O bond distances ranging from 2.11–2.47 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. In the second Se site, Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Se–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Dy and one Se atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Dy and one Se atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Dy atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Dy and one Se atom.},
doi = {10.17188/1298741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}