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Title: Materials Data on Tb3Nd by Materials Project

Abstract

Tb3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the second Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the third Tb site, Tb is bonded to eight Tb and four equivalentmore » Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. Nd is bonded to twelve Tb atoms to form NdTb12 cuboctahedra that share corners with six equivalent NdTb12 cuboctahedra, corners with twelve TbTb8Nd4 cuboctahedra, edges with eighteen TbTb8Nd4 cuboctahedra, faces with eight equivalent NdTb12 cuboctahedra, and faces with twelve TbTb8Nd4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-978008
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; Tb3Nd; Nd-Tb
OSTI Identifier:
1315810
DOI:
10.17188/1315810

Citation Formats

The Materials Project. Materials Data on Tb3Nd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315810.
The Materials Project. Materials Data on Tb3Nd by Materials Project. United States. doi:10.17188/1315810.
The Materials Project. 2020. "Materials Data on Tb3Nd by Materials Project". United States. doi:10.17188/1315810. https://www.osti.gov/servlets/purl/1315810. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1315810,
title = {Materials Data on Tb3Nd by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the second Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.56–3.67 Å. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. In the third Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with fourteen TbTb8Nd4 cuboctahedra, edges with six equivalent NdTb12 cuboctahedra, edges with twelve TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with sixteen TbTb8Nd4 cuboctahedra. There are two shorter (3.58 Å) and two longer (3.65 Å) Tb–Nd bond lengths. Nd is bonded to twelve Tb atoms to form NdTb12 cuboctahedra that share corners with six equivalent NdTb12 cuboctahedra, corners with twelve TbTb8Nd4 cuboctahedra, edges with eighteen TbTb8Nd4 cuboctahedra, faces with eight equivalent NdTb12 cuboctahedra, and faces with twelve TbTb8Nd4 cuboctahedra.},
doi = {10.17188/1315810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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