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Title: Materials Data on Sm2Ag2O5 by Materials Project

Abstract

Sm2Ag2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.20–2.44 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with four equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–O bond distances ranging from 2.17–2.24 Å. In the second Ag2+ site, Ag2+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with two equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ag–O bond distances ranging from 2.26–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two Ag2+ atoms to formmore » a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form distorted corner-sharing OSm2Ag2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1076848
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; Sm2Ag2O5; Ag-O-Sm
OSTI Identifier:
1476051
DOI:
https://doi.org/10.17188/1476051

Citation Formats

The Materials Project. Materials Data on Sm2Ag2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1476051.
The Materials Project. Materials Data on Sm2Ag2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1476051
The Materials Project. 2020. "Materials Data on Sm2Ag2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1476051. https://www.osti.gov/servlets/purl/1476051. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1476051,
title = {Materials Data on Sm2Ag2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Ag2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.20–2.44 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with four equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ag–O bond distances ranging from 2.17–2.24 Å. In the second Ag2+ site, Ag2+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with two equivalent AgO6 octahedra and corners with two equivalent AgO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ag–O bond distances ranging from 2.26–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSm2Ag2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ag2+ atoms to form distorted corner-sharing OSm2Ag2 tetrahedra.},
doi = {10.17188/1476051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}