10.17188/1204602
None Available
Materials Data on BaSi23 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
BaSi23
Ba-Si
The Materials Project
2020
en
BaSi23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to twenty Si atoms. There are eight shorter (3.29 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted pentagonal planar geometry to one Ba and four Si atoms. There are one shorter (2.32 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Ba and four Si atoms. The Si–Si bond length is 2.40 Å.