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Title: Materials Data on YbNi2B2C by Materials Project

Abstract

YbNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Yb–C bond lengths are 2.54 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CYb4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ni–B bond lengths are 2.07 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.46 Å. C4- is bonded to four equivalent Yb2+ and two equivalent B atoms to form distorted CYb4B2 octahedra that share corners with four equivalent CYb4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CYb4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-6286
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; YbNi2B2C; B-C-Ni-Yb
OSTI Identifier:
1278915
DOI:
10.17188/1278915

Citation Formats

The Materials Project. Materials Data on YbNi2B2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278915.
The Materials Project. Materials Data on YbNi2B2C by Materials Project. United States. doi:10.17188/1278915.
The Materials Project. 2020. "Materials Data on YbNi2B2C by Materials Project". United States. doi:10.17188/1278915. https://www.osti.gov/servlets/purl/1278915. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278915,
title = {Materials Data on YbNi2B2C by Materials Project},
author = {The Materials Project},
abstractNote = {YbNi2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Yb–C bond lengths are 2.54 Å. Ni1+ is bonded to four equivalent B atoms to form NiB4 tetrahedra that share corners with four equivalent CYb4B2 octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ni–B bond lengths are 2.07 Å. B is bonded in a distorted single-bond geometry to four equivalent Ni1+ and one C4- atom. The B–C bond length is 1.46 Å. C4- is bonded to four equivalent Yb2+ and two equivalent B atoms to form distorted CYb4B2 octahedra that share corners with four equivalent CYb4B2 octahedra, corners with eight equivalent NiB4 tetrahedra, and edges with four equivalent CYb4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1278915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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