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Title: Materials Data on Eu2Cu4Si3Ge by Materials Project

Abstract

Eu2Cu4GeSi3 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Eu2Cu4GeSi3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Eu–Si bond lengths are 3.18 Å. In the second Eu2+ site, Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with eight equivalent CuSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with four equivalent CuSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. There are four shorter (3.16 Å) and four longer (3.17 Å) Eu–Si bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Cu–Si bond lengths are 2.40 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent EuSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with two equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. There are two shorter (2.40 Å) and twomore » longer (2.43 Å) Cu–Si bond lengths. Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.39 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1225406
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Eu2Cu4Si3Ge; Cu-Eu-Ge-Si
OSTI Identifier:
1687405
DOI:
https://doi.org/10.17188/1687405

Citation Formats

The Materials Project. Materials Data on Eu2Cu4Si3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687405.
The Materials Project. Materials Data on Eu2Cu4Si3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1687405
The Materials Project. 2020. "Materials Data on Eu2Cu4Si3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1687405. https://www.osti.gov/servlets/purl/1687405. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1687405,
title = {Materials Data on Eu2Cu4Si3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Cu4GeSi3 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Eu2Cu4GeSi3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Eu–Si bond lengths are 3.18 Å. In the second Eu2+ site, Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with eight equivalent CuSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with four equivalent CuSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. There are four shorter (3.16 Å) and four longer (3.17 Å) Eu–Si bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Cu–Si bond lengths are 2.40 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent EuSi8 hexagonal bipyramids, corners with four equivalent CuSi4 tetrahedra, edges with two equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent CuSi4 tetrahedra. There are two shorter (2.40 Å) and two longer (2.43 Å) Cu–Si bond lengths. Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.39 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to four equivalent Eu2+, four equivalent Cu1+, and one Ge4+ atom.},
doi = {10.17188/1687405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}