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Title: Materials Data on TbCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275594· OSTI ID:1275594

TbCl3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tb3+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing TbCl6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Tb–Cl bond distances ranging from 2.66–2.68 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Tb3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tb3+ atoms.

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:
1275594
Report Number(s):
mp-570232
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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