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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr2Si by Materials Project

Sr2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- atoms. There are one shorter (3.26 Å) and two longer (3.46 Å) Sr–Si bond lengths. In the second Sr2+ site, Sr2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing SrSi4 tetrahedra. There are a spread of Sr–Si bond distances ranging from 3.18–3.25 Å. Si4- is bonded in a 7-coordinate geometry to seven Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗