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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 sixteen inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four Ag1+ and two Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.92–3.01 Å. There are one shorter (2.75 Å) and one longer (2.82 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.94–3.01 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.89 Å) and one longer (3.20 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.76–3.41 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.84–3.06 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shortermore » (2.77 Å) and one longer (2.85 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.02 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to four Ag1+ and five Te2- atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.85–3.93 Å. In the seventh Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.78–2.93 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.97 Å. There are a spread of Ag–Te bond distances ranging from 2.78–3.08 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.84 Å. There are a spread of Ag–Te bond distances ranging from 2.90–3.21 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are one shorter (2.88 Å) and one longer (3.14 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.86–3.27 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.82 Å) and one longer (2.94 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.84–3.22 Å. In the twelfth 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 2.86–3.08 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to four Ag1+ and five Te2- atoms. The Ag–Ag bond length is 2.81 Å. There are a spread of Ag–Te bond distances ranging from 2.81–3.94 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.80 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.05 Å. In the fifteenth 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 2.85–3.10 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one Ag1+ and three Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.79–2.97 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.53–2.66 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.58–2.63 Å. There are twelve inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the fourth Te2- site, Te2- is bonded in a distorted L-shaped geometry to one Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a distorted hexagonal bipyramidal geometry to eight Ag1+ atoms. In the seventh Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ag1+ and one Ge4+ atom. In the eighth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the ninth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Ag1+ and one Ge4+ atom. In the tenth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the eleventh Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the twelfth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-676168
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag8GeTe6; Ag-Ge-Te
OSTI Identifier:
1282955
DOI:
https://doi.org/10.17188/1282955

Citation Formats

The Materials Project. Materials Data on Ag8GeTe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282955.
The Materials Project. Materials Data on Ag8GeTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1282955
The Materials Project. 2020. "Materials Data on Ag8GeTe6 by Materials Project". United States. doi:https://doi.org/10.17188/1282955. https://www.osti.gov/servlets/purl/1282955. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282955,
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 sixteen inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four Ag1+ and two Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.92–3.01 Å. There are one shorter (2.75 Å) and one longer (2.82 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.94–3.01 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.89 Å) and one longer (3.20 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.76–3.41 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.84–3.06 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.77 Å) and one longer (2.85 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.02 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to four Ag1+ and five Te2- atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.85–3.93 Å. In the seventh Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.78–2.93 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.97 Å. There are a spread of Ag–Te bond distances ranging from 2.78–3.08 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.84 Å. There are a spread of Ag–Te bond distances ranging from 2.90–3.21 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are one shorter (2.88 Å) and one longer (3.14 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.86–3.27 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.82 Å) and one longer (2.94 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.84–3.22 Å. In the twelfth 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 2.86–3.08 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to four Ag1+ and five Te2- atoms. The Ag–Ag bond length is 2.81 Å. There are a spread of Ag–Te bond distances ranging from 2.81–3.94 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.80 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.05 Å. In the fifteenth 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 2.85–3.10 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one Ag1+ and three Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.79–2.97 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.53–2.66 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.58–2.63 Å. There are twelve inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the fourth Te2- site, Te2- is bonded in a distorted L-shaped geometry to one Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a distorted hexagonal bipyramidal geometry to eight Ag1+ atoms. In the seventh Te2- site, Te2- is bonded in a 5-coordinate geometry to five Ag1+ and one Ge4+ atom. In the eighth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the ninth Te2- site, Te2- is bonded in a 4-coordinate geometry to three Ag1+ and one Ge4+ atom. In the tenth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the eleventh Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the twelfth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom.},
doi = {10.17188/1282955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}