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Title: Materials Data on Bi4Au2O9 by Materials Project

Abstract

Au2Bi4O9 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.06 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.06 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.87 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.76 Å. In the third Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted corner-sharing BiO6 pentagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.85 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.95 Å. There are ninemore » inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form distorted edge-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three equivalent Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Au3+ and two Bi3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-559422
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; Bi4Au2O9; Au-Bi-O
OSTI Identifier:
1270854
DOI:
https://doi.org/10.17188/1270854

Citation Formats

The Materials Project. Materials Data on Bi4Au2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270854.
The Materials Project. Materials Data on Bi4Au2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1270854
The Materials Project. 2020. "Materials Data on Bi4Au2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1270854. https://www.osti.gov/servlets/purl/1270854. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270854,
title = {Materials Data on Bi4Au2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Au2Bi4O9 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.06 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.06 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.87 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.76 Å. In the third Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted corner-sharing BiO6 pentagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.85 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.95 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form distorted edge-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three equivalent Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Au3+ and three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Au3+ and two Bi3+ atoms.},
doi = {10.17188/1270854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}