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Title: Materials Data on Ag8GeTe6 by Materials Project

Abstract

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+more » 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.« less

Publication Date:
Other Number(s):
mp-676799
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag8GeTe6; Ag-Ge-Te
OSTI Identifier:
1283167
DOI:
https://doi.org/10.17188/1283167

Citation Formats

The Materials Project. Materials Data on Ag8GeTe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283167.
The Materials Project. Materials Data on Ag8GeTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1283167
The Materials Project. 2020. "Materials Data on Ag8GeTe6 by Materials Project". United States. doi:https://doi.org/10.17188/1283167. https://www.osti.gov/servlets/purl/1283167. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283167,
title = {Materials Data on Ag8GeTe6 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1283167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}