U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy5(SiSb)2 by Materials Project
Abstract
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 Dymore »
- Publication Date:
- Other Number(s):
- mp-1212829
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Dy-Sb-Si; Dy5(SiSb)2; crystal structure
- OSTI Identifier:
- 1739264
- DOI:
- https://doi.org/10.17188/1739264
Citation Formats
Materials Data on Dy5(SiSb)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739264.
Materials Data on Dy5(SiSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1739264
2020.
"Materials Data on Dy5(SiSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1739264. https://www.osti.gov/servlets/purl/1739264. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1739264,
title = {Materials Data on Dy5(SiSb)2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1739264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}