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Title: Materials Data on Er6Ag(GeS7)2 by Materials Project

Abstract

Er6Ag(GeS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.71–3.35 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.72–3.36 Å. Ag2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ag–S bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.25 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.24 Å) Ge–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Er3+ and one Ag2+ atom. In the second S2- site, S2- is bonded in amore » 4-coordinate geometry to four Er3+ and one Ag2+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Er3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Er3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1225741
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; Er6Ag(GeS7)2; Ag-Er-Ge-S
OSTI Identifier:
1744041
DOI:
https://doi.org/10.17188/1744041

Citation Formats

The Materials Project. Materials Data on Er6Ag(GeS7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744041.
The Materials Project. Materials Data on Er6Ag(GeS7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744041
The Materials Project. 2020. "Materials Data on Er6Ag(GeS7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744041. https://www.osti.gov/servlets/purl/1744041. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744041,
title = {Materials Data on Er6Ag(GeS7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er6Ag(GeS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.71–3.35 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.72–3.36 Å. Ag2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ag–S bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.25 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.24 Å) Ge–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Er3+ and one Ag2+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Er3+ and one Ag2+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Er3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a tetrahedral geometry to three equivalent Er3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom.},
doi = {10.17188/1744041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}