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

Title: Materials Data on CaNi5 by Materials Project

Abstract

CaNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.83 Å) and twelve longer (3.15 Å) Ca–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ca and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiCa4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.45 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-774
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; CaNi5; Ca-Ni
OSTI Identifier:
1268427
DOI:
10.17188/1268427

Citation Formats

The Materials Project. Materials Data on CaNi5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268427.
The Materials Project. Materials Data on CaNi5 by Materials Project. United States. doi:10.17188/1268427.
The Materials Project. 2020. "Materials Data on CaNi5 by Materials Project". United States. doi:10.17188/1268427. https://www.osti.gov/servlets/purl/1268427. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1268427,
title = {Materials Data on CaNi5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.83 Å) and twelve longer (3.15 Å) Ca–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Ca and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiCa4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.45 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ca and six equivalent Ni atoms.},
doi = {10.17188/1268427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: