Materials Data on Sm4Br6O by Materials Project
Sm4OBr6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and seven Br1- atoms. The Sm–O bond length is 2.24 Å. There are a spread of Sm–Br bond distances ranging from 3.01–3.49 Å. In the second Sm2+ site, Sm2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sm–O bond length is 2.39 Å. There are three shorter (3.16 Å) and three longer (3.25 Å) Sm–Br bond lengths. O2- is bonded in a trigonal pyramidal geometry to four Sm2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sm2+ atoms.
- 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:
- 1268092
- Report Number(s):
- mp-554768
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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