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Title: Materials Data on Ba2AgIO6 by Materials Project

Abstract

Ba2AgO6I is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent AgO6 octahedra, and faces with four equivalent IO6 octahedra. All Ba–O bond lengths are 3.04 Å. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent IO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.36 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ag3+, and one I5+ atom. The O–I bond length is 1.92 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1206237
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; Ba2AgIO6; Ag-Ba-I-O
OSTI Identifier:
1729325
DOI:
https://doi.org/10.17188/1729325

Citation Formats

The Materials Project. Materials Data on Ba2AgIO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729325.
The Materials Project. Materials Data on Ba2AgIO6 by Materials Project. United States. doi:https://doi.org/10.17188/1729325
The Materials Project. 2020. "Materials Data on Ba2AgIO6 by Materials Project". United States. doi:https://doi.org/10.17188/1729325. https://www.osti.gov/servlets/purl/1729325. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729325,
title = {Materials Data on Ba2AgIO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2AgO6I is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent AgO6 octahedra, and faces with four equivalent IO6 octahedra. All Ba–O bond lengths are 3.04 Å. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent IO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.36 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ag3+, and one I5+ atom. The O–I bond length is 1.92 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1729325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}