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Title: Materials Data on Tb2Co14B by Materials Project

Abstract

Tb2Co14B crystallizes in the tetragonal P4_2/mnm 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 sixteen Co and two equivalent B atoms. There are a spread of Tb–Co bond distances ranging from 2.92–3.19 Å. Both Tb–B bond lengths are 3.10 Å. In the second Tb site, Tb is bonded in a 11-coordinate geometry to sixteen Co and one B atom. There are a spread of Tb–Co bond distances ranging from 2.93–3.28 Å. The Tb–B bond length is 2.80 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to two Tb and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.32–2.57 Å. In the second Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of face and corner-sharing CoTb4Co8 cuboctahedra. All Co–Co bond lengths are 2.49 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tb, four Co, and two equivalent B atoms. There are two shortermore » (2.43 Å) and two longer (2.68 Å) Co–Co bond lengths. Both Co–B bond lengths are 2.02 Å. In the fourth Co site, Co is bonded in a 2-coordinate geometry to two Tb and twelve Co atoms. There are a spread of Co–Co bond distances ranging from 2.58–2.72 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to two Tb, seven Co, and one B atom. The Co–Co bond length is 2.53 Å. The Co–B bond length is 2.03 Å. In the sixth Co site, Co is bonded to three Tb and nine Co atoms to form distorted CoTb3Co9 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with three CoTb3Co9 cuboctahedra, and faces with twelve CoTb2Co10 cuboctahedra. The Co–Co bond length is 2.38 Å. B is bonded in a 6-coordinate geometry to three Tb and six Co atoms.« less

Publication Date:
Other Number(s):
mp-1196092
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; Tb2Co14B; B-Co-Tb
OSTI Identifier:
1727212
DOI:
https://doi.org/10.17188/1727212

Citation Formats

The Materials Project. Materials Data on Tb2Co14B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727212.
The Materials Project. Materials Data on Tb2Co14B by Materials Project. United States. doi:https://doi.org/10.17188/1727212
The Materials Project. 2020. "Materials Data on Tb2Co14B by Materials Project". United States. doi:https://doi.org/10.17188/1727212. https://www.osti.gov/servlets/purl/1727212. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1727212,
title = {Materials Data on Tb2Co14B by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2Co14B crystallizes in the tetragonal P4_2/mnm 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 sixteen Co and two equivalent B atoms. There are a spread of Tb–Co bond distances ranging from 2.92–3.19 Å. Both Tb–B bond lengths are 3.10 Å. In the second Tb site, Tb is bonded in a 11-coordinate geometry to sixteen Co and one B atom. There are a spread of Tb–Co bond distances ranging from 2.93–3.28 Å. The Tb–B bond length is 2.80 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to two Tb and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.32–2.57 Å. In the second Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of face and corner-sharing CoTb4Co8 cuboctahedra. All Co–Co bond lengths are 2.49 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tb, four Co, and two equivalent B atoms. There are two shorter (2.43 Å) and two longer (2.68 Å) Co–Co bond lengths. Both Co–B bond lengths are 2.02 Å. In the fourth Co site, Co is bonded in a 2-coordinate geometry to two Tb and twelve Co atoms. There are a spread of Co–Co bond distances ranging from 2.58–2.72 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to two Tb, seven Co, and one B atom. The Co–Co bond length is 2.53 Å. The Co–B bond length is 2.03 Å. In the sixth Co site, Co is bonded to three Tb and nine Co atoms to form distorted CoTb3Co9 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with three CoTb3Co9 cuboctahedra, and faces with twelve CoTb2Co10 cuboctahedra. The Co–Co bond length is 2.38 Å. B is bonded in a 6-coordinate geometry to three Tb and six Co atoms.},
doi = {10.17188/1727212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}