Materials Data on Sr2Si by Materials Project

Sr2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Sr–Si bond lengths are 3.13 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing SrSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sr–Si bond lengths are 3.65 Å. Si4- is bonded in a distorted trigonal planar geometry to nine Sr2+ atoms.