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Materials Data on SrSi2 by Materials Project

SrSi2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent Si atoms. There are six shorter (3.27 Å) and two longer (3.38 Å) Sr–Si bond lengths. Si is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å.

36 MATERIALS SCIENCE↗

Materials Data on SrSi2 by Materials Project

SrSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded to twelve Si atoms to form a mixture of face and edge-sharing SrSi12 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.36 Å) Sr–Si bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Si atoms. There are one shorter (2.33 Å) and two longer (2.50 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are one shorter (2.33 Å) and two longer (2.50 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are two shorter (3.20 Å) and four longer (3.36 Å) Si–Sr bond lengths. Both Si–Si bond lengths are 2.50 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are two shorter (3.20 Å) and four longer (3.36 Å) Si–Sr bond lengths. The Si–Si bond length is 2.33 Å.

36 MATERIALS SCIENCE↗

Materials Data on SrSi2 by Materials Project

SrSi2 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent Si atoms. There are six shorter (3.27 Å) and two longer (3.39 Å) Sr–Si bond lengths. Si is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å.

36 MATERIALS SCIENCE↗

Materials Data on SrSi2(BO4)2 by Materials Project

SrB2Si2O8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.65 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent BO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one B3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one B3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent B3+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one B3+, and one Si4+ atom.

36 MATERIALS SCIENCE↗