Materials Data on MgSi7Ir3 by Materials Project
Abstract
MgIr3Si7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent Si+1.71- atoms to form edge-sharing MgSi12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.17 Å) Mg–Si bond lengths. Ir+3.33+ is bonded in a 7-coordinate geometry to seven Si+1.71- atoms. There are a spread of Ir–Si bond distances ranging from 2.44–2.52 Å. There are two inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a distorted trigonal planar geometry to three equivalent Ir+3.33+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and three equivalent Ir+3.33+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-13241
- 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; MgSi7Ir3; Ir-Mg-Si
- OSTI Identifier:
- 1189477
- DOI:
- https://doi.org/10.17188/1189477
Citation Formats
The Materials Project. Materials Data on MgSi7Ir3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189477.
The Materials Project. Materials Data on MgSi7Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1189477
The Materials Project. 2020.
"Materials Data on MgSi7Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1189477. https://www.osti.gov/servlets/purl/1189477. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189477,
title = {Materials Data on MgSi7Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgIr3Si7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent Si+1.71- atoms to form edge-sharing MgSi12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.17 Å) Mg–Si bond lengths. Ir+3.33+ is bonded in a 7-coordinate geometry to seven Si+1.71- atoms. There are a spread of Ir–Si bond distances ranging from 2.44–2.52 Å. There are two inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a distorted trigonal planar geometry to three equivalent Ir+3.33+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and three equivalent Ir+3.33+ atoms.},
doi = {10.17188/1189477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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