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Title: Materials Data on Tb4InIr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1272983· OSTI ID:1272983

Tb4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Tb–Ir bond lengths are 2.86 Å. All Tb–In bond lengths are 3.47 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 2.83 Å. Both Tb–In bond lengths are 3.49 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Tb–Ir bond lengths are 3.48 Å. Both Tb–In bond lengths are 3.27 Å. Ir is bonded in a 6-coordinate geometry to nine Tb atoms. In is bonded in a 12-coordinate geometry to nine Tb and three equivalent In atoms. All In–In bond lengths are 3.21 Å.

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:
1272983
Report Number(s):
mp-604378
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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