Materials Data on Be2Si2O5 by Materials Project

Abstract

Be2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Be is bonded to five O atoms to form distorted corner-sharing BeO5 trigonal bipyramids. There is one shorter (1.68 Å) and four longer (1.74 Å) Be–O bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Si–O bond lengths are 2.03 Å. In the second Si site, Si is bonded in a square co-planar geometry to four equivalent O atoms. All Si–O bond lengths are 2.36 Å. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Be and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing OBe2Si2 tetrahedra. In the second O site, O is bonded in a distorted linear geometry to two equivalent Be and four equivalent Si atoms.