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Title: Materials Data on Rb6CuAgO4 by Materials Project

Abstract

Rb6AgCuO4 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.96–3.09 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.06 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.11 Å. In the fourth Rb1+ site, Rb1+ is bonded to four O2- atoms to form corner-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.90–3.10 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.31 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.67–3.36 Å. Ag1+ is bonded in a linearmore » geometry to two O2- atoms. Both Ag–O bond lengths are 2.04 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Cu1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219689
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; Rb6CuAgO4; Ag-Cu-O-Rb
OSTI Identifier:
1710124
DOI:
https://doi.org/10.17188/1710124

Citation Formats

The Materials Project. Materials Data on Rb6CuAgO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710124.
The Materials Project. Materials Data on Rb6CuAgO4 by Materials Project. United States. doi:https://doi.org/10.17188/1710124
The Materials Project. 2020. "Materials Data on Rb6CuAgO4 by Materials Project". United States. doi:https://doi.org/10.17188/1710124. https://www.osti.gov/servlets/purl/1710124. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1710124,
title = {Materials Data on Rb6CuAgO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb6AgCuO4 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.96–3.09 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.06 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.11 Å. In the fourth Rb1+ site, Rb1+ is bonded to four O2- atoms to form corner-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.90–3.10 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.31 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.67–3.36 Å. Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.04 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) Cu–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Cu1+ atom.},
doi = {10.17188/1710124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}