Materials Data on BeO2 by Materials Project
BeO2 is quartz (alpha)-like structured and crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one BeO2 sheet oriented in the (0, 0, 1) direction. there are six inequivalent Be sites. In the first Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.57–1.62 Å. In the second Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.62 Å) Be–O bond length. In the third Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.57–1.62 Å. In the fourth Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.63 Å. In the fifth Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.62 Å. In the sixth Be site, Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.62 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 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 bent 150 degrees geometry to two Be atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent Be atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two Be atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent Be atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Be atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two Be atoms.