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Title: Materials Data on Mg2TaAgO6 by Materials Project

Abstract

Mg2TaAgO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.63 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.62 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Ta–O bond distances ranging from 1.95–2.03 Å. Ag3+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.02–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one Ta5+, and one Ag3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Mg2+, one Ta5+, and one Ag3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and two equivalent Ta5+ atoms. Inmore » the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent Ag3+ atoms to form corner-sharing OMg2Ag2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mvc-4152
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; Mg2TaAgO6; Ag-Mg-O-Ta
OSTI Identifier:
1320876
DOI:
https://doi.org/10.17188/1320876

Citation Formats

The Materials Project. Materials Data on Mg2TaAgO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320876.
The Materials Project. Materials Data on Mg2TaAgO6 by Materials Project. United States. doi:https://doi.org/10.17188/1320876
The Materials Project. 2020. "Materials Data on Mg2TaAgO6 by Materials Project". United States. doi:https://doi.org/10.17188/1320876. https://www.osti.gov/servlets/purl/1320876. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320876,
title = {Materials Data on Mg2TaAgO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2TaAgO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.63 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.62 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Ta–O bond distances ranging from 1.95–2.03 Å. Ag3+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.02–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one Ta5+, and one Ag3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Mg2+, one Ta5+, and one Ag3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent Ag3+ atoms to form corner-sharing OMg2Ag2 tetrahedra.},
doi = {10.17188/1320876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}