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Materials Data on ScPO4 by Materials Project

ScPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.19 Å) and four longer (2.27 Å) Sc–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Sc3+ and one P5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on ScPO6 by Materials Project

ScPO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one ScPO4 framework. In the ScPO4 framework, Sc is bonded to four O atoms to form ScO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 1.96–2.00 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent ScO4 tetrahedra. All P–O bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sc and one P atom. In the second O site, O is bonded in a linear geometry to one Sc and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Sc and one P atom. In the fourth O site, O is bonded in a linear geometry to one Sc and one P atom.

36 MATERIALS SCIENCE↗