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Title: Materials Data on HoTlTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1324712· OSTI ID:1324712

HoTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Te2- atoms to form HoTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent HoTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ho–Te bond lengths are 3.09 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent HoTe6 octahedra, edges with six equivalent HoTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Ho3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeHo3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1324712
Report Number(s):
mp-1007663
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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