Materials Data on Sm2Se2O by Materials Project
Sm2Se2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six Se2- and one O2- atom. There are a spread of Sm–Se bond distances ranging from 2.89–3.08 Å. The Sm–O bond length is 2.34 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to three Se2- and three equivalent O2- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.12 Å. There are one shorter (2.34 Å) and two longer (2.39 Å) Sm–O bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 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:
- 1289958
- Report Number(s):
- mp-755362
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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