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Title: Materials Data on Tb3Tm by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1711736· OSTI ID:1711736

TmTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Tb atoms to form TmTb12 cuboctahedra that share corners with four equivalent TmTb12 cuboctahedra, corners with eight equivalent TbTb8Tm4 cuboctahedra, edges with eight equivalent TmTb12 cuboctahedra, edges with sixteen equivalent TbTb8Tm4 cuboctahedra, faces with four equivalent TmTb12 cuboctahedra, and faces with fourteen TbTb8Tm4 cuboctahedra. There are four shorter (3.54 Å) and eight longer (3.55 Å) Tm–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Tm and eight Tb atoms to form TbTb8Tm4 cuboctahedra that share corners with twelve equivalent TbTb8Tm4 cuboctahedra, edges with eight equivalent TmTb12 cuboctahedra, edges with sixteen TbTb8Tm4 cuboctahedra, faces with four equivalent TmTb12 cuboctahedra, and faces with fourteen TbTb8Tm4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.55 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Tm and eight equivalent Tb atoms to form TbTb8Tm4 cuboctahedra that share corners with four equivalent TbTb8Tm4 cuboctahedra, corners with eight equivalent TmTb12 cuboctahedra, edges with twenty-four TbTb8Tm4 cuboctahedra, faces with six equivalent TmTb12 cuboctahedra, and faces with twelve TbTb8Tm4 cuboctahedra.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1711736
Report Number(s):
mp-1187313
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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