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Title: Materials Data on Ag5Te2Cl by Materials Project

Abstract

Ag5Te2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twenty inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, two Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.94 Å. Both Ag–Te bond lengths are 2.79 Å. The Ag–Cl bond length is 2.76 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.06 Å. There are a spread of Ag–Te bond distances ranging from 2.80–2.97 Å. The Ag–Cl bond length is 2.89 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. The Ag–Ag bond length is 2.86 Å. There are one shorter (2.83 Å) and one longer (2.89 Å) Ag–Te bond lengths. There are one shorter (2.66 Å) and one longer (2.73 Å) Ag–Cl bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.98 Å. There are a spread of Ag–Te bond distances rangingmore » from 2.88–3.17 Å. The Ag–Cl bond length is 2.79 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Ag1+ and four Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 3.02–3.10 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.07 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.95 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are one shorter (2.87 Å) and one longer (2.92 Å) Ag–Te bond lengths. There are one shorter (2.68 Å) and one longer (2.97 Å) Ag–Cl bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to seven Ag1+ and three Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.02 Å. There are a spread of Ag–Te bond distances ranging from 2.92–3.06 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.96 Å. There are a spread of Ag–Te bond distances ranging from 2.80–2.90 Å. The Ag–Cl bond length is 3.17 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Te bond distances ranging from 2.81–3.41 Å. The Ag–Cl bond length is 2.80 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.86–3.13 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.02 Å. There are a spread of Ag–Te bond distances ranging from 2.86–3.02 Å. The Ag–Cl bond length is 2.88 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+, three Te2-, and one Cl1- atom. There are one shorter (2.91 Å) and one longer (2.96 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.88–3.00 Å. The Ag–Cl bond length is 3.23 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+, three Te2-, and one Cl1- atom. There are one shorter (2.96 Å) and one longer (3.02 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.58 Å. The Ag–Cl bond length is 2.74 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Ag–Te bond lengths. There are one shorter (2.85 Å) and one longer (2.86 Å) Ag–Cl bond lengths. In the fifteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, three Te2-, and one Cl1- atom. There are a spread of Ag–Te bond distances ranging from 2.80–3.45 Å. The Ag–Cl bond length is 2.91 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, two Te2-, and one Cl1- atom. There are one shorter (2.81 Å) and one longer (2.86 Å) Ag–Te bond lengths. The Ag–Cl bond length is 2.79 Å. In the seventeenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+, four Te2-, and one Cl1- atom. There are a spread of Ag–Te bond distances ranging from 2.79–3.55 Å. The Ag–Cl bond length is 3.00 Å. In the eighteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, four Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.62 Å. The Ag–Cl bond length is 2.81 Å. In the nineteenth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to five Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.99 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.09 Å. The Ag–Cl bond length is 3.04 Å. In the twentieth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ag–Te bond lengths. There are one shorter (2.74 Å) and one longer (3.13 Å) Ag–Cl bond lengths. There are eight 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 eight Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the fifth Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the seventh Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the eighth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-569467
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; Ag5Te2Cl; Ag-Cl-Te
OSTI Identifier:
1275111
DOI:
https://doi.org/10.17188/1275111

Citation Formats

The Materials Project. Materials Data on Ag5Te2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275111.
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The Materials Project. Materials Data on Ag5Te2Cl by Materials Project. United States. doi:https://doi.org/10.17188/1275111
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The Materials Project. 2020. "Materials Data on Ag5Te2Cl by Materials Project". United States. doi:https://doi.org/10.17188/1275111. https://www.osti.gov/servlets/purl/1275111. Pub date:Wed Apr 29 00:00:00 EDT 2020
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@article{osti_1275111,
title = {Materials Data on Ag5Te2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Ag5Te2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twenty inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, two Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.94 Å. Both Ag–Te bond lengths are 2.79 Å. The Ag–Cl bond length is 2.76 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.06 Å. There are a spread of Ag–Te bond distances ranging from 2.80–2.97 Å. The Ag–Cl bond length is 2.89 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. The Ag–Ag bond length is 2.86 Å. There are one shorter (2.83 Å) and one longer (2.89 Å) Ag–Te bond lengths. There are one shorter (2.66 Å) and one longer (2.73 Å) Ag–Cl bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.98 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.17 Å. The Ag–Cl bond length is 2.79 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Ag1+ and four Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 3.02–3.10 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.07 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.95 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are one shorter (2.87 Å) and one longer (2.92 Å) Ag–Te bond lengths. There are one shorter (2.68 Å) and one longer (2.97 Å) Ag–Cl bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 10-coordinate geometry to seven Ag1+ and three Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.02 Å. There are a spread of Ag–Te bond distances ranging from 2.92–3.06 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.96 Å. There are a spread of Ag–Te bond distances ranging from 2.80–2.90 Å. The Ag–Cl bond length is 3.17 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Te bond distances ranging from 2.81–3.41 Å. The Ag–Cl bond length is 2.80 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.86–3.13 Å. In the eleventh Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 3.02 Å. There are a spread of Ag–Te bond distances ranging from 2.86–3.02 Å. The Ag–Cl bond length is 2.88 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+, three Te2-, and one Cl1- atom. There are one shorter (2.91 Å) and one longer (2.96 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.88–3.00 Å. The Ag–Cl bond length is 3.23 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+, three Te2-, and one Cl1- atom. There are one shorter (2.96 Å) and one longer (3.02 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.58 Å. The Ag–Cl bond length is 2.74 Å. In the fourteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.85 Å) and one longer (2.88 Å) Ag–Te bond lengths. There are one shorter (2.85 Å) and one longer (2.86 Å) Ag–Cl bond lengths. In the fifteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, three Te2-, and one Cl1- atom. There are a spread of Ag–Te bond distances ranging from 2.80–3.45 Å. The Ag–Cl bond length is 2.91 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, two Te2-, and one Cl1- atom. There are one shorter (2.81 Å) and one longer (2.86 Å) Ag–Te bond lengths. The Ag–Cl bond length is 2.79 Å. In the seventeenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to three Ag1+, four Te2-, and one Cl1- atom. There are a spread of Ag–Te bond distances ranging from 2.79–3.55 Å. The Ag–Cl bond length is 3.00 Å. In the eighteenth Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to two Ag1+, four Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.62 Å. The Ag–Cl bond length is 2.81 Å. In the nineteenth Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to five Ag1+, three Te2-, and one Cl1- atom. The Ag–Ag bond length is 2.99 Å. There are a spread of Ag–Te bond distances ranging from 2.88–3.09 Å. The Ag–Cl bond length is 3.04 Å. In the twentieth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+, two Te2-, and two Cl1- atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ag–Te bond lengths. There are one shorter (2.74 Å) and one longer (3.13 Å) Ag–Cl bond lengths. There are eight 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 eight Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the fifth Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the seventh Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the eighth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Ag1+ atoms.},
doi = {10.17188/1275111},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1275111
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