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Title: Materials Data on V3Zn2N by Materials Project

Abstract

V3Zn2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. V is bonded in a bent 150 degrees geometry to six equivalent Zn and two equivalent N atoms. There are a spread of V–Zn bond distances ranging from 2.71–2.83 Å. Both V–N bond lengths are 2.04 Å. Zn is bonded to nine equivalent V and three equivalent Zn atoms to form ZnV9Zn3 cuboctahedra that share corners with fifteen equivalent ZnV9Zn3 cuboctahedra, edges with three equivalent NV6 octahedra, faces with ten equivalent ZnV9Zn3 cuboctahedra, and faces with four equivalent NV6 octahedra. All Zn–Zn bond lengths are 2.43 Å. N is bonded to six equivalent V atoms to form distorted NV6 octahedra that share corners with six equivalent NV6 octahedra, edges with six equivalent ZnV9Zn3 cuboctahedra, and faces with eight equivalent ZnV9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 19°.

Publication Date:
Other Number(s):
mp-1191068
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; V3Zn2N; N-V-Zn
OSTI Identifier:
1746791
DOI:
https://doi.org/10.17188/1746791

Citation Formats

The Materials Project. Materials Data on V3Zn2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746791.
The Materials Project. Materials Data on V3Zn2N by Materials Project. United States. doi:https://doi.org/10.17188/1746791
The Materials Project. 2020. "Materials Data on V3Zn2N by Materials Project". United States. doi:https://doi.org/10.17188/1746791. https://www.osti.gov/servlets/purl/1746791. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746791,
title = {Materials Data on V3Zn2N by Materials Project},
author = {The Materials Project},
abstractNote = {V3Zn2N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. V is bonded in a bent 150 degrees geometry to six equivalent Zn and two equivalent N atoms. There are a spread of V–Zn bond distances ranging from 2.71–2.83 Å. Both V–N bond lengths are 2.04 Å. Zn is bonded to nine equivalent V and three equivalent Zn atoms to form ZnV9Zn3 cuboctahedra that share corners with fifteen equivalent ZnV9Zn3 cuboctahedra, edges with three equivalent NV6 octahedra, faces with ten equivalent ZnV9Zn3 cuboctahedra, and faces with four equivalent NV6 octahedra. All Zn–Zn bond lengths are 2.43 Å. N is bonded to six equivalent V atoms to form distorted NV6 octahedra that share corners with six equivalent NV6 octahedra, edges with six equivalent ZnV9Zn3 cuboctahedra, and faces with eight equivalent ZnV9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 19°.},
doi = {10.17188/1746791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}