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

Title: Materials Data on Zr(Ni2P)2 by Materials Project

Abstract

Zr(Ni2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.75 Å) and four longer (2.80 Å) Zr–P bond lengths. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Zr2+ and six equivalent Ni1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505598
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; Zr(Ni2P)2; Ni-P-Zr
OSTI Identifier:
1262603
DOI:
10.17188/1262603

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zr(Ni2P)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262603.
Persson, Kristin, & Project, Materials. Materials Data on Zr(Ni2P)2 by Materials Project. United States. doi:10.17188/1262603.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zr(Ni2P)2 by Materials Project". United States. doi:10.17188/1262603. https://www.osti.gov/servlets/purl/1262603. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262603,
title = {Materials Data on Zr(Ni2P)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zr(Ni2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing ZrP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.75 Å) and four longer (2.80 Å) Zr–P bond lengths. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Zr2+ and six equivalent Ni1+ atoms.},
doi = {10.17188/1262603},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: