skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg6Cu16Si7 by Materials Project

Abstract

Mg6Cu16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.97 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.56 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Mg2+ and eight Cu1+ atoms to form a mixture of corner and face-sharing SiMg4Cu8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-21612
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg6Cu16Si7; Cu-Mg-Si
OSTI Identifier:
1197059
DOI:
https://doi.org/10.17188/1197059

Citation Formats

The Materials Project. Materials Data on Mg6Cu16Si7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197059.
The Materials Project. Materials Data on Mg6Cu16Si7 by Materials Project. United States. doi:https://doi.org/10.17188/1197059
The Materials Project. 2020. "Materials Data on Mg6Cu16Si7 by Materials Project". United States. doi:https://doi.org/10.17188/1197059. https://www.osti.gov/servlets/purl/1197059. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1197059,
title = {Materials Data on Mg6Cu16Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6Cu16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.97 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.56 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Mg2+ and eight Cu1+ atoms to form a mixture of corner and face-sharing SiMg4Cu8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.},
doi = {10.17188/1197059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}