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

Title: Materials Data on Ca(PRu)2 by Materials Project

Abstract

Ca(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ca–P bond lengths are 3.17 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.34 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ru2+, and one P3- atom. The P–P bond length is 2.62 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5157
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; Ca(PRu)2; Ca-P-Ru
OSTI Identifier:
1263111
DOI:
10.17188/1263111

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(PRu)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1263111.
Persson, Kristin, & Project, Materials. Materials Data on Ca(PRu)2 by Materials Project. United States. doi:10.17188/1263111.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Ca(PRu)2 by Materials Project". United States. doi:10.17188/1263111. https://www.osti.gov/servlets/purl/1263111. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1263111,
title = {Materials Data on Ca(PRu)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ca–P bond lengths are 3.17 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.34 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ru2+, and one P3- atom. The P–P bond length is 2.62 Å.},
doi = {10.17188/1263111},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

Save / Share: