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Title: Materials Data on Li2CuAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191320· OSTI ID:1191320

Li2CuAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing LiAs4 tetrahedra. There are one shorter (2.66 Å) and three longer (2.75 Å) Li–As bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. As3- is bonded in a 11-coordinate geometry to eight equivalent Li1+ and three equivalent Cu1+ 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:
1191320
Report Number(s):
mp-15686
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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