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Title: Materials Data on Dy5Ni2Bi by Materials Project

Abstract

Dy5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted DyNi4Bi2 octahedra that share corners with six equivalent DyNi4Bi2 octahedra, corners with sixteen equivalent DyNi3Bi2 trigonal bipyramids, and faces with eight equivalent DyNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Dy–Ni bond lengths are 3.00 Å. Both Dy–Bi bond lengths are 3.40 Å. In the second Dy site, Dy is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted DyNi3Bi2 trigonal bipyramids that share corners with four equivalent DyNi4Bi2 octahedra, corners with twelve equivalent DyNi3Bi2 trigonal bipyramids, edges with seven equivalent DyNi3Bi2 trigonal bipyramids, faces with two equivalent DyNi4Bi2 octahedra, and a faceface with one DyNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–61°. There are two shorter (2.86 Å) and one longer (2.93 Å) Dy–Ni bond lengths. Both Dy–Bi bond lengths are 3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.

Authors:
Publication Date:
Other Number(s):
mp-1212912
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; Dy5Ni2Bi; Bi-Dy-Ni
OSTI Identifier:
1731439
DOI:
https://doi.org/10.17188/1731439

Citation Formats

The Materials Project. Materials Data on Dy5Ni2Bi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731439.
The Materials Project. Materials Data on Dy5Ni2Bi by Materials Project. United States. doi:https://doi.org/10.17188/1731439
The Materials Project. 2020. "Materials Data on Dy5Ni2Bi by Materials Project". United States. doi:https://doi.org/10.17188/1731439. https://www.osti.gov/servlets/purl/1731439. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731439,
title = {Materials Data on Dy5Ni2Bi by Materials Project},
author = {The Materials Project},
abstractNote = {Dy5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted DyNi4Bi2 octahedra that share corners with six equivalent DyNi4Bi2 octahedra, corners with sixteen equivalent DyNi3Bi2 trigonal bipyramids, and faces with eight equivalent DyNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Dy–Ni bond lengths are 3.00 Å. Both Dy–Bi bond lengths are 3.40 Å. In the second Dy site, Dy is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted DyNi3Bi2 trigonal bipyramids that share corners with four equivalent DyNi4Bi2 octahedra, corners with twelve equivalent DyNi3Bi2 trigonal bipyramids, edges with seven equivalent DyNi3Bi2 trigonal bipyramids, faces with two equivalent DyNi4Bi2 octahedra, and a faceface with one DyNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–61°. There are two shorter (2.86 Å) and one longer (2.93 Å) Dy–Ni bond lengths. Both Dy–Bi bond lengths are 3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.},
doi = {10.17188/1731439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}