Materials Data on Dy2CoSi2 by Materials Project
Dy2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Si4- atoms to form distorted DySi6 pentagonal pyramids that share corners with four equivalent DySi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent DySi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one DySi6 pentagonal pyramid. There are a spread of Dy–Si bond distances ranging from 2.86–3.13 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Dy–Si bond distances ranging from 2.87–3.26 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent DySi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent DySi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.34–2.50 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Dy3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.58 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Dy3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.78 Å.
- 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:
- 1205419
- Report Number(s):
- mp-31093
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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