U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe(Si2O3)2 by Materials Project
Abstract
FeSiO3(SiO)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one FeSiO3 ribbon oriented in the (1, 0, 0) direction and one SiO ribbon oriented in the (1, 0, 0) direction. In the FeSiO3 ribbon, Fe is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.83–2.09 Å. Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.68 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one Si atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Fe atoms. In the SiO ribbon, there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.64 Å. In the second Si site, Si is bonded in a single-bond geometry to one Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-744274
- 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; Fe(Si2O3)2; Fe-O-Si
- OSTI Identifier:
- 1288220
- DOI:
- https://doi.org/10.17188/1288220
Citation Formats
The Materials Project. Materials Data on Fe(Si2O3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288220.
The Materials Project. Materials Data on Fe(Si2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288220
The Materials Project. 2020.
"Materials Data on Fe(Si2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288220. https://www.osti.gov/servlets/purl/1288220. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1288220,
title = {Materials Data on Fe(Si2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeSiO3(SiO)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one FeSiO3 ribbon oriented in the (1, 0, 0) direction and one SiO ribbon oriented in the (1, 0, 0) direction. In the FeSiO3 ribbon, Fe is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.83–2.09 Å. Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.68 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one Si atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Fe atoms. In the SiO ribbon, there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.64 Å. In the second Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.69 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms.},
doi = {10.17188/1288220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}