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Title: Materials Data on Zn2NiSbO6 by Materials Project

Abstract

NiZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of Ni–O bond distances ranging from 1.95–2.15 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.69 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.66 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.09 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ni3+, two equivalent Zn2+, and one Sb5+ atom. In the second O2- site, O2-more » is bonded in a 3-coordinate geometry to one Ni3+, three Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form distorted OZn2Sb2 tetrahedra that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ni2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ni3+ and two Zn2+ atoms to form distorted OZn2Ni2 trigonal pyramids that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ni2 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mvc-4142
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; Zn2NiSbO6; Ni-O-Sb-Zn
OSTI Identifier:
1320871
DOI:
https://doi.org/10.17188/1320871

Citation Formats

The Materials Project. Materials Data on Zn2NiSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320871.
The Materials Project. Materials Data on Zn2NiSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1320871
The Materials Project. 2020. "Materials Data on Zn2NiSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1320871. https://www.osti.gov/servlets/purl/1320871. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1320871,
title = {Materials Data on Zn2NiSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NiZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of Ni–O bond distances ranging from 1.95–2.15 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.69 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.66 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.09 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ni3+, two equivalent Zn2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ni3+, three Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form distorted OZn2Sb2 tetrahedra that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ni2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ni3+ and two Zn2+ atoms to form distorted OZn2Ni2 trigonal pyramids that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ni2 trigonal pyramids.},
doi = {10.17188/1320871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}