U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgFe(SiO2)2 by Materials Project
Abstract
MgSiO2FeOSiO crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one FeOSiO sheet oriented in the (0, 0, 1) direction and one MgSiO2 sheet oriented in the (0, 0, 1) direction. In the FeOSiO sheet, Fe is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (2.03 Å) and one longer (2.08 Å) Fe–O bond lengths. Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.79 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Fe and two equivalent Si atoms. In the MgSiO2 sheet, Mg is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Mg–O bond lengths. Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.78 Å) Si–O bond length. There are two inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222202
- 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; MgFe(SiO2)2; Fe-Mg-O-Si
- OSTI Identifier:
- 1676107
- DOI:
- https://doi.org/10.17188/1676107
Citation Formats
The Materials Project. Materials Data on MgFe(SiO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676107.
The Materials Project. Materials Data on MgFe(SiO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676107
The Materials Project. 2020.
"Materials Data on MgFe(SiO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676107. https://www.osti.gov/servlets/purl/1676107. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676107,
title = {Materials Data on MgFe(SiO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSiO2FeOSiO crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one FeOSiO sheet oriented in the (0, 0, 1) direction and one MgSiO2 sheet oriented in the (0, 0, 1) direction. In the FeOSiO sheet, Fe is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (2.03 Å) and one longer (2.08 Å) Fe–O bond lengths. Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.79 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Fe and two equivalent Si atoms. In the MgSiO2 sheet, Mg is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Mg–O bond lengths. Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.78 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Mg and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Mg and two equivalent Si atoms.},
doi = {10.17188/1676107},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}