Materials Data on Sc2Si2O7 by Materials Project
Sc2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent ScO6 pentagonal pyramids. There are a spread of Sc–O bond distances ranging from 2.10–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent ScO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.65 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Si4+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1270844
- Report Number(s):
- mp-5594
- Country of Publication:
- United States
- Language:
- English
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