Materials Data on SmMgF4 by Materials Project
MgSmF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of Mg–F bond distances ranging from 1.91–2.25 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to one Mg2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing FSm3Mg tetrahedra. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mg2+ 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:
- 1313320
- Report Number(s):
- mp-9540
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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