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Materials Data on Tb5(In2Pt)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1707258· OSTI ID:1707258
Tb5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Tb–Pt bond lengths are 2.85 Å. There are a spread of Tb–In bond distances ranging from 3.24–3.43 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. All Tb–Pt bond lengths are 2.98 Å. There are a spread of Tb–In bond distances ranging from 3.36–3.44 Å. In the third Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.25 Å) and four longer (3.35 Å) Tb–In bond lengths. Pt is bonded in a 9-coordinate geometry to six Tb and three In atoms. There are a spread of Pt–In bond distances ranging from 2.94–3.38 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Tb, two equivalent Pt, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Tb, one Pt, and one In atom.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1707258
Report Number(s):
mp-1208691
Country of Publication:
United States
Language:
English

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