Materials Data on Mg2Sn2O5 by Materials Project
Mg2Sn2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.41 Å. Sn3+ is bonded to five O2- atoms to form corner-sharing SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.08–2.24 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Sn3+ atoms to form distorted OMg4Sn2 octahedra that share corners with eight equivalent OMg2Sn2 tetrahedra, edges with two equivalent OMg4Sn2 octahedra, edges with two equivalent OMg2Sn2 tetrahedra, and faces with four equivalent OMg2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Sn3+ atoms to form distorted OMg2Sn2 tetrahedra that share corners with four equivalent OMg4Sn2 octahedra, corners with four equivalent OMg2Sn2 tetrahedra, corners with eight equivalent OMg2Sn2 trigonal pyramids, and an edgeedge with one OMg4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–79°. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Sn3+ atoms to form distorted OMg2Sn2 trigonal pyramids that share corners with eight equivalent OMg2Sn2 tetrahedra, corners with two equivalent OMg2Sn2 trigonal pyramids, an edgeedge with one OMg2Sn2 trigonal pyramid, and faces with two equivalent OMg4Sn2 octahedra.
- 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:
- 1320728
- Report Number(s):
- mvc-3800
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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