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Title: Materials Data on LuIn2Pd by Materials Project

Abstract

LuPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 2-coordinate geometry to four Pd and nine In atoms. There are a spread of Lu–Pd bond distances ranging from 3.05–3.65 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.44 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to four Pd and eight In atoms. There are a spread of Lu–Pd bond distances ranging from 3.02–3.25 Å. There are a spread of Lu–In bond distances ranging from 3.16–3.53 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Lu–Pd bond lengths are 3.21 Å. There are four shorter (3.26 Å) and four longer (3.32 Å) Lu–In bond lengths. In the fourth Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Pd and eight In atoms. All Lu–Pd bond lengths are 2.92 Å. There are four shorter (3.32 Å) and four longer (3.35 Å) Lu–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pdmore » is bonded in a 9-coordinate geometry to four Lu and six In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.89 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two equivalent Lu and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.84 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Lu and five In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.85 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Lu, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.15 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Lu and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Lu, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Lu and three Pd atoms.« less

Publication Date:
Other Number(s):
mp-1211130
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; LuIn2Pd; In-Lu-Pd
OSTI Identifier:
1678669
DOI:
https://doi.org/10.17188/1678669

Citation Formats

The Materials Project. Materials Data on LuIn2Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678669.
The Materials Project. Materials Data on LuIn2Pd by Materials Project. United States. doi:https://doi.org/10.17188/1678669
The Materials Project. 2020. "Materials Data on LuIn2Pd by Materials Project". United States. doi:https://doi.org/10.17188/1678669. https://www.osti.gov/servlets/purl/1678669. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1678669,
title = {Materials Data on LuIn2Pd by Materials Project},
author = {The Materials Project},
abstractNote = {LuPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 2-coordinate geometry to four Pd and nine In atoms. There are a spread of Lu–Pd bond distances ranging from 3.05–3.65 Å. There are a spread of Lu–In bond distances ranging from 3.11–3.44 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to four Pd and eight In atoms. There are a spread of Lu–Pd bond distances ranging from 3.02–3.25 Å. There are a spread of Lu–In bond distances ranging from 3.16–3.53 Å. In the third Lu site, Lu is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Lu–Pd bond lengths are 3.21 Å. There are four shorter (3.26 Å) and four longer (3.32 Å) Lu–In bond lengths. In the fourth Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Pd and eight In atoms. All Lu–Pd bond lengths are 2.92 Å. There are four shorter (3.32 Å) and four longer (3.35 Å) Lu–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four Lu and six In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.89 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two equivalent Lu and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.84 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Lu and five In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.85 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Lu, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.15 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Lu and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Lu, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Lu and three Pd atoms.},
doi = {10.17188/1678669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}