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Title: Materials Data on Nb3AgO8 by Materials Project

Abstract

AgNb3O8 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to seven O2- atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent NbO8 hexagonal bipyramids, corners with two equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with two equivalent NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.87–2.40 Å. In the second Nb5+ site, Nb5+ is bonded to eight O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with four equivalent NbO7 pentagonal bipyramids. There are four shorter (2.11 Å) and four longer (2.12 Å) Nb–O bond lengths. Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.79 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry tomore » two equivalent Nb5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Nb5+ atoms.« less

Publication Date:
Other Number(s):
mp-16837
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; Nb3AgO8; Ag-Nb-O
OSTI Identifier:
1192198
DOI:
https://doi.org/10.17188/1192198

Citation Formats

The Materials Project. Materials Data on Nb3AgO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192198.
The Materials Project. Materials Data on Nb3AgO8 by Materials Project. United States. doi:https://doi.org/10.17188/1192198
The Materials Project. 2020. "Materials Data on Nb3AgO8 by Materials Project". United States. doi:https://doi.org/10.17188/1192198. https://www.osti.gov/servlets/purl/1192198. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192198,
title = {Materials Data on Nb3AgO8 by Materials Project},
author = {The Materials Project},
abstractNote = {AgNb3O8 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to seven O2- atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent NbO8 hexagonal bipyramids, corners with two equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with two equivalent NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.87–2.40 Å. In the second Nb5+ site, Nb5+ is bonded to eight O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with four equivalent NbO7 pentagonal bipyramids. There are four shorter (2.11 Å) and four longer (2.12 Å) Nb–O bond lengths. Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.79 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nb5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Nb5+ atoms.},
doi = {10.17188/1192198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}