Materials Data on LiMnSiO4 by Materials Project
Li1MnSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent MnO6 octahedra and corners with six equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–69°. There is two shorter (1.97 Å) and two longer (2.02 Å) Li–O bond length. Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent SiO6 octahedra. There are four shorter (1.96 Å) and two longer (2.21 Å) Mn–O bond lengths. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SiO6 octahedra, and edges with four equivalent MnO6 octahedra. There is four shorter (1.82 Å) and two longer (1.85 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, one Mn3+, and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent Mn3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiMn2Si 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:
- 1291848
- Report Number(s):
- mp-761352
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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