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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaIn(SiO3)2 by Materials Project

NaInSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.98 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.11–2.26 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–59°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one In3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent In3+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2InSiO5 by Materials Project

Na2InSiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of In–O bond distances ranging from 2.20–2.73 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to four equivalent Na and two equivalent In atoms. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Na, two equivalent In, and one Si atom. In the third O site, O is bonded in a 1-coordinate geometry to four equivalent Na, one In, and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to four equivalent Na, one In, and one Si atom.

36 MATERIALS SCIENCE↗