Materials Data on Zn2SiO4 by Materials Project
Zn2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are four shorter (2.10 Å) and two longer (2.19 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.08–2.17 Å. In the third Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with seven ZnO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Zn–O bond distances ranging from 2.08–2.20 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with ten ZnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–61°. There is three shorter (1.65 Å) and one longer (1.72 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Zn2+ atoms to form edge-sharing OZn5 square pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Zn2+ and one Si4+ atom.
- 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:
- 1351457
- Report Number(s):
- mp-1020717
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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