Materials Data on Yb4Br6O by Materials Project
Yb4OBr6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to one O2- and six Br1- atoms. The Yb–O bond length is 2.33 Å. There are a spread of Yb–Br bond distances ranging from 2.87–3.22 Å. O2- is bonded to four equivalent Yb2+ atoms to form distorted OYb4 tetrahedra that share corners with eight equivalent BrYb4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Yb2+ atoms to form distorted BrYb4 tetrahedra that share corners with four equivalent OYb4 tetrahedra and edges with two equivalent BrYb4 tetrahedra.
- 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:
- 1291675
- Report Number(s):
- mp-760635
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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