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Title: Materials Data on Pr2CuSi3Rh2 by Materials Project

Abstract

Pr2Rh2CuSi3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, two equivalent Cu, and eight Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. Both Pr–Cu bond lengths are 3.15 Å. There are four shorter (3.16 Å) and four longer (3.19 Å) Pr–Si bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, four equivalent Cu, and six Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. All Pr–Cu bond lengths are 3.16 Å. There are two shorter (3.15 Å) and four longer (3.19 Å) Pr–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edge and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edgemore » and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.44 Å) Rh–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are two shorter (2.37 Å) and one longer (2.43 Å) Cu–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Si atom. The Si–Si bond length is 2.45 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Cu atom. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219923
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; Pr2CuSi3Rh2; Cu-Pr-Rh-Si
OSTI Identifier:
1696187
DOI:
https://doi.org/10.17188/1696187

Citation Formats

The Materials Project. Materials Data on Pr2CuSi3Rh2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1696187.
The Materials Project. Materials Data on Pr2CuSi3Rh2 by Materials Project. United States. doi:https://doi.org/10.17188/1696187
The Materials Project. 2019. "Materials Data on Pr2CuSi3Rh2 by Materials Project". United States. doi:https://doi.org/10.17188/1696187. https://www.osti.gov/servlets/purl/1696187. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1696187,
title = {Materials Data on Pr2CuSi3Rh2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Rh2CuSi3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, two equivalent Cu, and eight Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. Both Pr–Cu bond lengths are 3.15 Å. There are four shorter (3.16 Å) and four longer (3.19 Å) Pr–Si bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, four equivalent Cu, and six Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. All Pr–Cu bond lengths are 3.16 Å. There are two shorter (3.15 Å) and four longer (3.19 Å) Pr–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edge and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edge and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.44 Å) Rh–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are two shorter (2.37 Å) and one longer (2.43 Å) Cu–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Si atom. The Si–Si bond length is 2.45 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Cu atom. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Si atom.},
doi = {10.17188/1696187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}