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DOE OSTI2020

Materials Data on BPO4 by Materials Project

BPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BPO4 by Materials Project

BPO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All P–O bond lengths are 1.54 Å. O2- is bonded in a distorted bent 150 degrees geometry to one B3+ and one P5+ atom.

36 MATERIALS SCIENCE↗