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Title: Materials Data on NaNi2BiO6 by Materials Project

Abstract

NaNi2BiO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.25 Å) and three longer (2.51 Å) Na–O bond lengths. There are two inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.92 Å) and three longer (1.95 Å) Ni–O bond length. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.93 Å) and three longer (1.96 Å) Ni–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.23 Å) and three longer (2.28 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-1120818
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; NaNi2BiO6; Bi-Na-Ni-O
OSTI Identifier:
1749683
DOI:
https://doi.org/10.17188/1749683

Citation Formats

The Materials Project. Materials Data on NaNi2BiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749683.
The Materials Project. Materials Data on NaNi2BiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1749683
The Materials Project. 2020. "Materials Data on NaNi2BiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1749683. https://www.osti.gov/servlets/purl/1749683. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749683,
title = {Materials Data on NaNi2BiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNi2BiO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.25 Å) and three longer (2.51 Å) Na–O bond lengths. There are two inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.92 Å) and three longer (1.95 Å) Ni–O bond length. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is three shorter (1.93 Å) and three longer (1.96 Å) Ni–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.23 Å) and three longer (2.28 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ni4+, and one Bi3+ atom.},
doi = {10.17188/1749683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}