Materials Data on Dy5(SiSb)2 by Materials Project
Dy5(SiSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to three equivalent Si and three equivalent Sb atoms to form distorted DySi3Sb3 pentagonal pyramids that share corners with three equivalent DySi4Sb2 octahedra, corners with ten equivalent DySi3Sb3 pentagonal pyramids, edges with seven equivalent DySi3Sb3 pentagonal pyramids, faces with two equivalent DySi4Sb2 octahedra, and faces with two equivalent DySi3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–41°. There are one shorter (2.95 Å) and two longer (3.03 Å) Dy–Si bond lengths. There are a spread of Dy–Sb bond distances ranging from 3.14–3.17 Å. In the second Dy site, Dy is bonded to four equivalent Si and two equivalent Sb atoms to form DySi4Sb2 octahedra that share corners with four equivalent DySi4Sb2 octahedra, corners with twelve equivalent DySi3Sb3 pentagonal pyramids, and faces with eight equivalent DySi3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are two shorter (3.05 Å) and two longer (3.07 Å) Dy–Si bond lengths. Both Dy–Sb bond lengths are 3.12 Å. Si is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded to seven Dy atoms to form a mixture of distorted corner and edge-sharing SbDy7 pentagonal bipyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1739264
- Report Number(s):
- mp-1212829
- Country of Publication:
- United States
- Language:
- English
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