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

Title: Materials Data on Ni4Mo by Materials Project

Abstract

Ni4Mo crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with twelve NiNi9Mo3 cuboctahedra, edges with eight equivalent MoNi12 cuboctahedra, edges with sixteen NiNi9Mo3 cuboctahedra, faces with two equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi9Mo3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.56 Å) Mo–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. The Ni–Ni bondmore » length is 2.54 Å.« less

Publication Date:
Other Number(s):
mp-11507
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; Ni4Mo; Mo-Ni
OSTI Identifier:
1188017
DOI:
https://doi.org/10.17188/1188017

Citation Formats

The Materials Project. Materials Data on Ni4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188017.
The Materials Project. Materials Data on Ni4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1188017
The Materials Project. 2020. "Materials Data on Ni4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1188017. https://www.osti.gov/servlets/purl/1188017. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188017,
title = {Materials Data on Ni4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {Ni4Mo crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with twelve NiNi9Mo3 cuboctahedra, edges with eight equivalent MoNi12 cuboctahedra, edges with sixteen NiNi9Mo3 cuboctahedra, faces with two equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi9Mo3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.56 Å) Mo–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. The Ni–Ni bond length is 2.54 Å.},
doi = {10.17188/1188017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}