Materials Data on Ag8GeTe6 by Materials Project
Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and three Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.91–3.24 Å. There are a spread of Ag–Te bond distances ranging from 2.83–2.91 Å. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to four Ag1+ and three Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.03 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.87 Å) and one longer (2.90 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.82–3.07 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to five Ag1+ and four Te2- atoms. There are one shorter (2.94 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.82–3.12 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.92 Å. There are a spread of Ag–Te bond distances ranging from 2.74–3.22 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.88–3.25 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.84–2.98 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.85–2.99 Å. Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.54–2.67 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in an L-shaped geometry to one Ag1+ and one Ge4+ atom.
- 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:
- 1283167
- Report Number(s):
- mp-676799
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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