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Title: Materials Data on K2AgSbS4 by Materials Project

Abstract

K2AgSbS4 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.37–3.66 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.58 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.42 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.54 Å) and two longer (2.66 Å) Ag–S bond lengths. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Sb–S bond lengths. There are four inequivalent S2- sites.more » In the first S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Ag1+, and one Sb5+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Ag1+, and one Sb5+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one Sb5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-553923
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; K2AgSbS4; Ag-K-S-Sb
OSTI Identifier:
1267638
DOI:
10.17188/1267638

Citation Formats

The Materials Project. Materials Data on K2AgSbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267638.
The Materials Project. Materials Data on K2AgSbS4 by Materials Project. United States. doi:10.17188/1267638.
The Materials Project. 2020. "Materials Data on K2AgSbS4 by Materials Project". United States. doi:10.17188/1267638. https://www.osti.gov/servlets/purl/1267638. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267638,
title = {Materials Data on K2AgSbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2AgSbS4 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.37–3.66 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.58 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.42 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.54 Å) and two longer (2.66 Å) Ag–S bond lengths. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Sb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Ag1+, and one Sb5+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Ag1+, and one Sb5+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one Sb5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one Sb5+ atom.},
doi = {10.17188/1267638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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