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Title: Materials Data on TmAgTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189285· OSTI ID:1189285

TmAgTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with twelve equivalent AgTe6 octahedra, edges with six equivalent TmTe6 octahedra, and faces with two equivalent AgTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Tm–Te bond lengths are 3.07 Å. Ag1+ is bonded to six equivalent Te2- atoms to form AgTe6 octahedra that share corners with twelve equivalent TmTe6 octahedra, edges with six equivalent AgTe6 octahedra, and faces with two equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ag–Te bond lengths are 3.05 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Tm3+ and three equivalent Ag1+ 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:
1189285
Report Number(s):
mp-12953
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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