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Title: Materials Data on La(SiPd)2 by Materials Project

Abstract

LaPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.27 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.51 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.

Publication Date:
Other Number(s):
mp-4954
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; La(SiPd)2; La-Pd-Si
OSTI Identifier:
1208509
DOI:
https://doi.org/10.17188/1208509

Citation Formats

The Materials Project. Materials Data on La(SiPd)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208509.
The Materials Project. Materials Data on La(SiPd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1208509
The Materials Project. 2020. "Materials Data on La(SiPd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1208509. https://www.osti.gov/servlets/purl/1208509. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208509,
title = {Materials Data on La(SiPd)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to eight equivalent Si4- atoms to form LaSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent LaSi8 hexagonal bipyramids. All La–Si bond lengths are 3.27 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent LaSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent LaSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.51 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.},
doi = {10.17188/1208509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}