U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb3Pr by Materials Project
Abstract
Tb3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.61 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.60 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent TbTb8Pr4 cuboctahedra, corners with eight equivalent PrTb12 cuboctahedra, edges with twenty-four TbTb8Pr4 cuboctahedra, faces with six equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra. All Tb–Pr bond lengths are 3.61 Å. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with eight equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1187301
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Tb3Pr; Pr-Tb
- OSTI Identifier:
- 1685194
- DOI:
- https://doi.org/10.17188/1685194
Citation Formats
The Materials Project. Materials Data on Tb3Pr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685194.
The Materials Project. Materials Data on Tb3Pr by Materials Project. United States. doi:https://doi.org/10.17188/1685194
The Materials Project. 2020.
"Materials Data on Tb3Pr by Materials Project". United States. doi:https://doi.org/10.17188/1685194. https://www.osti.gov/servlets/purl/1685194. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685194,
title = {Materials Data on Tb3Pr by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with twelve equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.61 Å) Tb–Tb bond lengths. All Tb–Pr bond lengths are 3.60 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Pr atoms to form TbTb8Pr4 cuboctahedra that share corners with four equivalent TbTb8Pr4 cuboctahedra, corners with eight equivalent PrTb12 cuboctahedra, edges with twenty-four TbTb8Pr4 cuboctahedra, faces with six equivalent PrTb12 cuboctahedra, and faces with twelve TbTb8Pr4 cuboctahedra. All Tb–Pr bond lengths are 3.61 Å. Pr is bonded to twelve Tb atoms to form PrTb12 cuboctahedra that share corners with four equivalent PrTb12 cuboctahedra, corners with eight equivalent TbTb8Pr4 cuboctahedra, edges with eight equivalent PrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Pr4 cuboctahedra, faces with four equivalent PrTb12 cuboctahedra, and faces with fourteen TbTb8Pr4 cuboctahedra.},
doi = {10.17188/1685194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}