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Title: Materials Data on Dy5Bi3 by Materials Project

Abstract

Dy5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 trigonal bipyramids that share corners with six equivalent DyBi6 octahedra, corners with four equivalent DyBi5 square pyramids, edges with two equivalent DyBi6 octahedra, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, and a faceface with one DyBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Dy–Bi bond distances ranging from 3.14–3.38 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.11–3.51 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 square pyramids that share corners with five equivalent DyBi6 octahedra, corners with four equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi6 octahedra, edges with two equivalent DyBi5 square pyramids, an edgeedge with one DyBi5 trigonal bipyramid, a faceface with one DyBi6 octahedra, and a faceface with one DyBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles rangemore » from 36–45°. There are a spread of Dy–Bi bond distances ranging from 3.19–3.26 Å. In the fourth Dy site, Dy is bonded to six Bi atoms to form distorted DyBi6 octahedra that share corners with five equivalent DyBi5 square pyramids, corners with six equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, faces with two equivalent DyBi6 octahedra, and a faceface with one DyBi5 square pyramid. There are a spread of Dy–Bi bond distances ranging from 3.13–3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.« less

Publication Date:
Other Number(s):
mp-31464
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; Dy5Bi3; Bi-Dy
OSTI Identifier:
1205678
DOI:
10.17188/1205678

Citation Formats

The Materials Project. Materials Data on Dy5Bi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205678.
The Materials Project. Materials Data on Dy5Bi3 by Materials Project. United States. doi:10.17188/1205678.
The Materials Project. 2020. "Materials Data on Dy5Bi3 by Materials Project". United States. doi:10.17188/1205678. https://www.osti.gov/servlets/purl/1205678. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205678,
title = {Materials Data on Dy5Bi3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 trigonal bipyramids that share corners with six equivalent DyBi6 octahedra, corners with four equivalent DyBi5 square pyramids, edges with two equivalent DyBi6 octahedra, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, and a faceface with one DyBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Dy–Bi bond distances ranging from 3.14–3.38 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.11–3.51 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 square pyramids that share corners with five equivalent DyBi6 octahedra, corners with four equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi6 octahedra, edges with two equivalent DyBi5 square pyramids, an edgeedge with one DyBi5 trigonal bipyramid, a faceface with one DyBi6 octahedra, and a faceface with one DyBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Dy–Bi bond distances ranging from 3.19–3.26 Å. In the fourth Dy site, Dy is bonded to six Bi atoms to form distorted DyBi6 octahedra that share corners with five equivalent DyBi5 square pyramids, corners with six equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, faces with two equivalent DyBi6 octahedra, and a faceface with one DyBi5 square pyramid. There are a spread of Dy–Bi bond distances ranging from 3.13–3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.},
doi = {10.17188/1205678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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