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Title: Materials Data on TbNi4B by Materials Project

Abstract

TbNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Tb–Ni bond lengths are 2.88 Å. All Tb–B bond lengths are 2.87 Å. In the second Tb site, Tb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Tb–Ni bond lengths are 2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb and nine Ni atoms. There are six shorter (2.49 Å) and three longer (2.87 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Tb, 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 Tb and six equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-12964
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; TbNi4B; B-Ni-Tb
OSTI Identifier:
1189296
DOI:
https://doi.org/10.17188/1189296

Citation Formats

The Materials Project. Materials Data on TbNi4B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189296.
The Materials Project. Materials Data on TbNi4B by Materials Project. United States. doi:https://doi.org/10.17188/1189296
The Materials Project. 2020. "Materials Data on TbNi4B by Materials Project". United States. doi:https://doi.org/10.17188/1189296. https://www.osti.gov/servlets/purl/1189296. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189296,
title = {Materials Data on TbNi4B by Materials Project},
author = {The Materials Project},
abstractNote = {TbNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Tb–Ni bond lengths are 2.88 Å. All Tb–B bond lengths are 2.87 Å. In the second Tb site, Tb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Tb–Ni bond lengths are 2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb and nine Ni atoms. There are six shorter (2.49 Å) and three longer (2.87 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Tb, 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 Tb and six equivalent Ni atoms.},
doi = {10.17188/1189296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}