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Title: Materials Data on HoAgTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189258· OSTI ID:1189258

HoAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent Te2- atoms to form HoTe6 octahedra that share corners with eight equivalent HoTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent HoTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Ho–Te bond distances ranging from 3.03–3.17 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent HoTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent HoTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two 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:
1189258
Report Number(s):
mp-12904
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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