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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Be2SiO4 by Materials Project

Be2SiO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four BeO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.64–1.67 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four BeO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.67 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with eight BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be3SiO6 by Materials Project

Be3SiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with four BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.57–1.67 Å. In the second Be site, Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with two equivalent BeO4 tetrahedra, corners with three equivalent SiO4 tetrahedra, and an edgeedge with one BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.59–1.66 Å. In the third Be site, Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.66 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with eight BeO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Be atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the third O site, O is bonded in a trigonal planar geometry to two Be and one Si atom. In the fourth O site, O is bonded in a trigonal planar geometry to two equivalent Be and one Si atom. In the fifth O site, O is bonded in a trigonal planar geometry to two Be and one Si atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to two equivalent Be and one Si atom.

36 MATERIALS SCIENCE↗