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Title: Materials Data on DySiNi by Materials Project

Abstract

DyNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Si4- atoms to form distorted DySi6 octahedra that share corners with twelve equivalent DySi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent DySi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent DySi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of Dy–Si bond distances ranging from 2.92–3.04 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent DySi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent DySi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent DySi6 octahedra. The corner-sharing octahedra tilt angles range from 3–68°. There are a spread of Ni–Si bond distances ranging from 2.42–2.55 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Dy3+ and four equivalent Ni1+ atoms.

Publication Date:
Other Number(s):
mp-1212898
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; DySiNi; Dy-Ni-Si
OSTI Identifier:
1722289
DOI:
https://doi.org/10.17188/1722289

Citation Formats

The Materials Project. Materials Data on DySiNi by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722289.
The Materials Project. Materials Data on DySiNi by Materials Project. United States. doi:https://doi.org/10.17188/1722289
The Materials Project. 2019. "Materials Data on DySiNi by Materials Project". United States. doi:https://doi.org/10.17188/1722289. https://www.osti.gov/servlets/purl/1722289. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722289,
title = {Materials Data on DySiNi by Materials Project},
author = {The Materials Project},
abstractNote = {DyNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Si4- atoms to form distorted DySi6 octahedra that share corners with twelve equivalent DySi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent DySi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent DySi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of Dy–Si bond distances ranging from 2.92–3.04 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent DySi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent DySi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent DySi6 octahedra. The corner-sharing octahedra tilt angles range from 3–68°. There are a spread of Ni–Si bond distances ranging from 2.42–2.55 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Dy3+ and four equivalent Ni1+ atoms.},
doi = {10.17188/1722289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}