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Title: Materials Data on Lu2Si5Ru3 by Materials Project

Abstract

Lu2Ru3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.81–3.13 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to six Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing RuSi6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Ru–Si bond distances ranging from 2.43–2.49 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.40 Å) and two longer (2.65 Å) Ru–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Lu3+, three Ru2+, and four Si+2.40- atoms. There are two shorter (2.56 Å) and two longer (2.79 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, four equivalent Ru2+, and one Si+2.40- atom. The Si–Si bond length is 2.73 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometrymore » to three equivalent Lu3+, four Ru2+, and two equivalent Si+2.40- atoms.« less

Publication Date:
Other Number(s):
mp-669402
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; Lu2Si5Ru3; Lu-Ru-Si
OSTI Identifier:
1281613
DOI:
10.17188/1281613

Citation Formats

The Materials Project. Materials Data on Lu2Si5Ru3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281613.
The Materials Project. Materials Data on Lu2Si5Ru3 by Materials Project. United States. doi:10.17188/1281613.
The Materials Project. 2020. "Materials Data on Lu2Si5Ru3 by Materials Project". United States. doi:10.17188/1281613. https://www.osti.gov/servlets/purl/1281613. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1281613,
title = {Materials Data on Lu2Si5Ru3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ru3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.81–3.13 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to six Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing RuSi6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Ru–Si bond distances ranging from 2.43–2.49 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.40 Å) and two longer (2.65 Å) Ru–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Lu3+, three Ru2+, and four Si+2.40- atoms. There are two shorter (2.56 Å) and two longer (2.79 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, four equivalent Ru2+, and one Si+2.40- atom. The Si–Si bond length is 2.73 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to three equivalent Lu3+, four Ru2+, and two equivalent Si+2.40- atoms.},
doi = {10.17188/1281613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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