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Title: Materials Data on Zn3Ir by Materials Project

Abstract

IrZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Zn atoms to form IrZn12 cuboctahedra that share corners with four equivalent IrZn12 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with eight equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and eight longer (2.76 Å) Ir–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ir and eight Zn atoms to form distorted ZnZn8Ir4 cuboctahedra that share corners with twelve equivalent ZnZn8Ir4 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with eight equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with ten equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ir and eight equivalent Zn atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-865362
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; Zn3Ir; Ir-Zn
OSTI Identifier:
1310667
DOI:
10.17188/1310667

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zn3Ir by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1310667.
Persson, Kristin, & Project, Materials. Materials Data on Zn3Ir by Materials Project. United States. doi:10.17188/1310667.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Zn3Ir by Materials Project". United States. doi:10.17188/1310667. https://www.osti.gov/servlets/purl/1310667. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1310667,
title = {Materials Data on Zn3Ir by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IrZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Zn atoms to form IrZn12 cuboctahedra that share corners with four equivalent IrZn12 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with eight equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and eight longer (2.76 Å) Ir–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ir and eight Zn atoms to form distorted ZnZn8Ir4 cuboctahedra that share corners with twelve equivalent ZnZn8Ir4 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with eight equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with ten equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ir and eight equivalent Zn atoms.},
doi = {10.17188/1310667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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