skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202576· OSTI ID:1202576

NaTe3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six Te atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–12°. There are three shorter (3.19 Å) and three longer (3.26 Å) Na–Te bond lengths. In the second Na site, Na is bonded to six Te atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are three shorter (3.23 Å) and three longer (3.24 Å) Na–Te bond lengths. In the third Na site, Na is bonded to six Te atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 8–12°. There are three shorter (3.20 Å) and three longer (3.25 Å) Na–Te bond lengths. There are three inequivalent Te sites. In the first Te site, Te is bonded in a distorted linear geometry to two Na and one Te atom. The Te–Te bond length is 2.88 Å. In the second Te site, Te is bonded in a distorted see-saw-like geometry to two Na and two Te atoms. The Te–Te bond length is 2.84 Å. In the third Te site, Te is bonded in a distorted linear geometry to two Na 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:
1202576
Report Number(s):
mp-28478
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Na4Si2Te5 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1202576

Materials Data on NaGa6AgTe10 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1202576

Materials Data on Na4SnTe4 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1202576