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Materials Data on CePt5 by Materials Project (Dataset)

2023-11-07 02:15| 来源: 网络整理| 查看: 265

Abstract

CePt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.11 Å) and twelve longer (3.49 Å) Ce–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded in a 3-coordinate geometry to three equivalent Ce3+ and six equivalent Pt+0.60- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to four equivalent Ce3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtCe4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.69 Å.



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