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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BePO4 by Materials Project

BePO4 is low (alpha) Cristobalite-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Be is bonded to four equivalent O atoms to form BeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.61 Å. P is bonded to four equivalent O atoms to form PO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.53 Å. O is bonded in a bent 150 degrees geometry to one Be and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BePH4NO4 by Materials Project

BePO4NH4 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four ammonium molecules and one BePO4 framework. In the BePO4 framework, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.63–1.65 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Be2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one P5+ atom.

36 MATERIALS SCIENCE↗