Materials Data on Yb4Mn2Sn5 by Materials Project
Yb4Mn2Sn5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 11-coordinate geometry to three equivalent Mn and eight Sn atoms. There are one shorter (3.23 Å) and two longer (3.47 Å) Yb–Mn bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.29–3.56 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to one Mn and seven Sn atoms. The Yb–Mn bond length is 3.48 Å. There are a spread of Yb–Sn bond distances ranging from 3.15–3.55 Å. Mn is bonded in a 4-coordinate geometry to four Yb and four Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.70–2.73 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, one Mn, and two Sn atoms. There are one shorter (2.87 Å) and one longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to five Yb, three equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.25 Å. In the third Sn site, Sn is bonded to eight Yb and four Sn atoms to form face-sharing SnYb8Sn4 cuboctahedra.
- 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:
- 1273771
- Report Number(s):
- mp-567248
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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