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Title: Materials Data on InNi2SbO6 by Materials Project

Abstract

Ni2InSbO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent InO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are three shorter (2.07 Å) and three longer (2.17 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent InO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are three shorter (2.05 Å) and three longer (2.16 Å) Ni–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent SbO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°.more » There are three shorter (2.12 Å) and three longer (2.28 Å) In–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent InO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.00 Å) and three longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ni2+, one In3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OInNi2Sb trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ni2+, one In3+, and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-1078367
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; InNi2SbO6; In-Ni-O-Sb
OSTI Identifier:
1753675
DOI:
https://doi.org/10.17188/1753675

Citation Formats

The Materials Project. Materials Data on InNi2SbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753675.
The Materials Project. Materials Data on InNi2SbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1753675
The Materials Project. 2020. "Materials Data on InNi2SbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1753675. https://www.osti.gov/servlets/purl/1753675. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1753675,
title = {Materials Data on InNi2SbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2InSbO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent InO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are three shorter (2.07 Å) and three longer (2.17 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent InO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are three shorter (2.05 Å) and three longer (2.16 Å) Ni–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent SbO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are three shorter (2.12 Å) and three longer (2.28 Å) In–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent InO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.00 Å) and three longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ni2+, one In3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OInNi2Sb trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ni2+, one In3+, and one Sb5+ atom.},
doi = {10.17188/1753675},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}