U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InNiAg2F7 by Materials Project
Abstract
NiAg2InF7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra and corners with four equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Ni–F bond distances ranging from 1.99–2.05 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.39–3.08 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.51–2.92 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with four equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.11 Å) and two longer (2.13 Å) In–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Ag1+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FInAg3 tetrahedra. In the second F1- site, F1-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212006
- 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; InNiAg2F7; Ag-F-In-Ni
- OSTI Identifier:
- 1751587
- DOI:
- https://doi.org/10.17188/1751587
Citation Formats
The Materials Project. Materials Data on InNiAg2F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751587.
The Materials Project. Materials Data on InNiAg2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1751587
The Materials Project. 2020.
"Materials Data on InNiAg2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1751587. https://www.osti.gov/servlets/purl/1751587. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751587,
title = {Materials Data on InNiAg2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {NiAg2InF7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra and corners with four equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Ni–F bond distances ranging from 1.99–2.05 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.39–3.08 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.51–2.92 Å. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with four equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four shorter (2.11 Å) and two longer (2.13 Å) In–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Ag1+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FInAg3 tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Ni2+, two Ag1+, and one In3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Ni2+, two Ag1+, and one In3+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ni2+ and two equivalent Ag1+ atoms. In the fifth F1- site, F1- is bonded to three Ag1+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FInAg3 tetrahedra. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ni2+ and two equivalent Ag1+ atoms.},
doi = {10.17188/1751587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}