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Title: Materials Data on DyNi4B by Materials Project

Abstract

DyNi4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.88 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.88 Å. All Dy–B bond lengths are 2.88 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.49–2.88 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six Ni atoms.

Publication Date:
Other Number(s):
mp-1102346
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; DyNi4B; B-Dy-Ni
OSTI Identifier:
1678678
DOI:
https://doi.org/10.17188/1678678

Citation Formats

The Materials Project. Materials Data on DyNi4B by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1678678.
The Materials Project. Materials Data on DyNi4B by Materials Project. United States. doi:https://doi.org/10.17188/1678678
The Materials Project. 2018. "Materials Data on DyNi4B by Materials Project". United States. doi:https://doi.org/10.17188/1678678. https://www.osti.gov/servlets/purl/1678678. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1678678,
title = {Materials Data on DyNi4B by Materials Project},
author = {The Materials Project},
abstractNote = {DyNi4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.88 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.88 Å. All Dy–B bond lengths are 2.88 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.49–2.88 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six Ni atoms.},
doi = {10.17188/1678678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}