U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeSiO4 by Materials Project
Abstract
FeSiO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one FeSiO4 sheet oriented in the (-1, 0, 2) direction. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is two shorter (1.84 Å) and two longer (1.85 Å) Fe–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Fe and one Si atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Fe and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one Si atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192103
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; FeSiO4; Fe-O-Si
- OSTI Identifier:
- 1751492
- DOI:
- https://doi.org/10.17188/1751492
Citation Formats
The Materials Project. Materials Data on FeSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751492.
The Materials Project. Materials Data on FeSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1751492
The Materials Project. 2020.
"Materials Data on FeSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1751492. https://www.osti.gov/servlets/purl/1751492. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751492,
title = {Materials Data on FeSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeSiO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one FeSiO4 sheet oriented in the (-1, 0, 2) direction. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is two shorter (1.84 Å) and two longer (1.85 Å) Fe–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Fe and one Si atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Fe and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one Si atom.},
doi = {10.17188/1751492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}