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Title: Materials Data on Lu5Ir3 by Materials Project

Abstract

Lu5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to five Ir atoms to form distorted LuIr5 trigonal bipyramids that share corners with four equivalent LuIr4 tetrahedra, corners with eleven equivalent LuIr5 trigonal bipyramids, an edgeedge with one LuIr4 tetrahedra, edges with six equivalent LuIr5 trigonal bipyramids, and faces with two equivalent LuIr5 trigonal bipyramids. There are a spread of Lu–Ir bond distances ranging from 2.84–3.06 Å. In the second Lu site, Lu is bonded to four equivalent Ir atoms to form LuIr4 tetrahedra that share corners with sixteen equivalent LuIr5 trigonal bipyramids, edges with two equivalent LuIr4 tetrahedra, and edges with four equivalent LuIr5 trigonal bipyramids. All Lu–Ir bond lengths are 2.79 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Lu atoms.

Publication Date:
Other Number(s):
mp-1199567
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; Lu5Ir3; Ir-Lu
OSTI Identifier:
1651530
DOI:
https://doi.org/10.17188/1651530

Citation Formats

The Materials Project. Materials Data on Lu5Ir3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651530.
The Materials Project. Materials Data on Lu5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1651530
The Materials Project. 2019. "Materials Data on Lu5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1651530. https://www.osti.gov/servlets/purl/1651530. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651530,
title = {Materials Data on Lu5Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to five Ir atoms to form distorted LuIr5 trigonal bipyramids that share corners with four equivalent LuIr4 tetrahedra, corners with eleven equivalent LuIr5 trigonal bipyramids, an edgeedge with one LuIr4 tetrahedra, edges with six equivalent LuIr5 trigonal bipyramids, and faces with two equivalent LuIr5 trigonal bipyramids. There are a spread of Lu–Ir bond distances ranging from 2.84–3.06 Å. In the second Lu site, Lu is bonded to four equivalent Ir atoms to form LuIr4 tetrahedra that share corners with sixteen equivalent LuIr5 trigonal bipyramids, edges with two equivalent LuIr4 tetrahedra, and edges with four equivalent LuIr5 trigonal bipyramids. All Lu–Ir bond lengths are 2.79 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Lu atoms.},
doi = {10.17188/1651530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}