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Title: Materials Data on LuHCl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199789· OSTI ID:1199789

LuHCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three LuHCl sheets oriented in the (0, 0, 1) direction. Lu is bonded in a 7-coordinate geometry to four equivalent H and three equivalent Cl atoms. There are one shorter (2.13 Å) and three longer (2.16 Å) Lu–H bond lengths. All Lu–Cl bond lengths are 2.69 Å. H is bonded to four equivalent Lu atoms to form a mixture of edge and corner-sharing HLu4 tetrahedra. Cl is bonded in a distorted T-shaped geometry to three equivalent Lu 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:
1199789
Report Number(s):
mp-23896
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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