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Title: Materials Data on Ag5BiO4 by Materials Project

Abstract

Ag5BiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.12 Å. In the second 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 third Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.62 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. Bi3+ is bonded to five O2- atoms to form edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances rangingmore » from 2.20–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the second O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the fourth O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form distorted OAg2Bi2 tetrahedra that share corners with eight OAg3Bi tetrahedra and an edgeedge with one OAg2Bi2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-28812
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; Ag5BiO4; Ag-Bi-O
OSTI Identifier:
1202865
DOI:
10.17188/1202865

Citation Formats

The Materials Project. Materials Data on Ag5BiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202865.
The Materials Project. Materials Data on Ag5BiO4 by Materials Project. United States. doi:10.17188/1202865.
The Materials Project. 2020. "Materials Data on Ag5BiO4 by Materials Project". United States. doi:10.17188/1202865. https://www.osti.gov/servlets/purl/1202865. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202865,
title = {Materials Data on Ag5BiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag5BiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.12 Å. In the second 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 third Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.62 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. Bi3+ is bonded to five O2- atoms to form edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.20–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the second O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the fourth O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form distorted OAg2Bi2 tetrahedra that share corners with eight OAg3Bi tetrahedra and an edgeedge with one OAg2Bi2 tetrahedra.},
doi = {10.17188/1202865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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