Materials Data on Pr2CuSi3Rh2 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1696187
- Report Number(s):
- mp-1219923
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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