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Title: Materials Data on NiAs2Rh3 by Materials Project

Abstract

Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five As atoms. There are a spread of Rh–As bond distances ranging from 2.47–2.91 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ni and four As atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.46–2.49 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ni and four As atoms. There are two shorter (2.78 Å) and two longer (2.89 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.37–2.52 Å. Ni is bonded in a 3-coordinate geometry to six Rh and five As atoms. There are a spread of Ni–As bond distances ranging from 2.43–2.86 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to eight Rh and one Ni atom. In the second As site, As is bonded in a 9-coordinatemore » geometry to five Rh and four equivalent Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1220148
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NiAs2Rh3; As-Ni-Rh
OSTI Identifier:
1689622
DOI:
https://doi.org/10.17188/1689622

Citation Formats

The Materials Project. Materials Data on NiAs2Rh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689622.
The Materials Project. Materials Data on NiAs2Rh3 by Materials Project. United States. doi:https://doi.org/10.17188/1689622
The Materials Project. 2020. "Materials Data on NiAs2Rh3 by Materials Project". United States. doi:https://doi.org/10.17188/1689622. https://www.osti.gov/servlets/purl/1689622. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689622,
title = {Materials Data on NiAs2Rh3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five As atoms. There are a spread of Rh–As bond distances ranging from 2.47–2.91 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ni and four As atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.46–2.49 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ni and four As atoms. There are two shorter (2.78 Å) and two longer (2.89 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.37–2.52 Å. Ni is bonded in a 3-coordinate geometry to six Rh and five As atoms. There are a spread of Ni–As bond distances ranging from 2.43–2.86 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to eight Rh and one Ni atom. In the second As site, As is bonded in a 9-coordinate geometry to five Rh and four equivalent Ni atoms.},
doi = {10.17188/1689622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}