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Title: Materials Data on Ag25(BiO6)3 by Materials Project

Abstract

Ag25(BiO6)3 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.21 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.58 Å. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.17 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. There are two inequivalent Bi+3.67+ sites. In the first Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to sixmore » equivalent O2- atoms. All Bi–O bond lengths are 2.20 Å. In the second Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.27 Å) and three longer (2.46 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+3.67+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form corner-sharing OAg3Bi tetrahedra.« less

Publication Date:
Other Number(s):
mp-28729
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; Ag25(BiO6)3; Ag-Bi-O
OSTI Identifier:
1202794
DOI:
https://doi.org/10.17188/1202794

Citation Formats

The Materials Project. Materials Data on Ag25(BiO6)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202794.
The Materials Project. Materials Data on Ag25(BiO6)3 by Materials Project. United States. doi:https://doi.org/10.17188/1202794
The Materials Project. 2020. "Materials Data on Ag25(BiO6)3 by Materials Project". United States. doi:https://doi.org/10.17188/1202794. https://www.osti.gov/servlets/purl/1202794. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202794,
title = {Materials Data on Ag25(BiO6)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag25(BiO6)3 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.21 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.58 Å. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.17 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. There are two inequivalent Bi+3.67+ sites. In the first Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.20 Å. In the second Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.27 Å) and three longer (2.46 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+3.67+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form corner-sharing OAg3Bi tetrahedra.},
doi = {10.17188/1202794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}