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

Title: Materials Data on Ca3Ni2(GeO4)3 by Materials Project

Abstract

Ca3Ni2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.39 Å) and four longer (2.52 Å) Ca–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ni–O bond lengths are 2.03 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ni3+, and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-4441
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; Ca3Ni2(GeO4)3; Ca-Ge-Ni-O
OSTI Identifier:
1321011
DOI:
https://doi.org/10.17188/1321011

Citation Formats

The Materials Project. Materials Data on Ca3Ni2(GeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321011.
The Materials Project. Materials Data on Ca3Ni2(GeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1321011
The Materials Project. 2020. "Materials Data on Ca3Ni2(GeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1321011. https://www.osti.gov/servlets/purl/1321011. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1321011,
title = {Materials Data on Ca3Ni2(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Ni2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.39 Å) and four longer (2.52 Å) Ca–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ni–O bond lengths are 2.03 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ni3+, and one Ge4+ atom.},
doi = {10.17188/1321011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}