DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TiNi4GeO8 by Materials Project

Abstract

TiNi4GeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti4+ is bonded to four equivalent O2- atoms to form TiO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ti–O bond lengths are 1.85 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent TiO4 tetrahedra, corners with three equivalent GeO4 tetrahedra, and edges with six equivalent NiO6 octahedra. There are three shorter (2.07 Å) and three longer (2.10 Å) Ni–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ge–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ti4+ and three equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni2+ and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-1216682
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; TiNi4GeO8; Ge-Ni-O-Ti
OSTI Identifier:
1759565
DOI:
https://doi.org/10.17188/1759565

Citation Formats

The Materials Project. Materials Data on TiNi4GeO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759565.
The Materials Project. Materials Data on TiNi4GeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1759565
The Materials Project. 2020. "Materials Data on TiNi4GeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1759565. https://www.osti.gov/servlets/purl/1759565. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759565,
title = {Materials Data on TiNi4GeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {TiNi4GeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti4+ is bonded to four equivalent O2- atoms to form TiO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ti–O bond lengths are 1.85 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent TiO4 tetrahedra, corners with three equivalent GeO4 tetrahedra, and edges with six equivalent NiO6 octahedra. There are three shorter (2.07 Å) and three longer (2.10 Å) Ni–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ge–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ti4+ and three equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni2+ and one Ge4+ atom.},
doi = {10.17188/1759565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}