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Title: Materials Data on NiAgF3 by Materials Project

Abstract

AgNiF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Ni–F bond lengths are 2.00 Å. Ag1+ is bonded to twelve F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent NiF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.78–2.89 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998365
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; NiAgF3; Ag-F-Ni
OSTI Identifier:
1317313
DOI:
https://doi.org/10.17188/1317313

Citation Formats

The Materials Project. Materials Data on NiAgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317313.
The Materials Project. Materials Data on NiAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1317313
The Materials Project. 2020. "Materials Data on NiAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1317313. https://www.osti.gov/servlets/purl/1317313. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1317313,
title = {Materials Data on NiAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgNiF3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Ni–F bond lengths are 2.00 Å. Ag1+ is bonded to twelve F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent NiF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.78–2.89 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Ni2+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1317313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}