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Materials Data on CeP2 by Materials Project

CeP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Ce–P bond distances ranging from 2.87–3.07 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to five equivalent Ce4+ and one P2- atom to form a mixture of distorted edge and corner-sharing PCe5P pentagonal pyramids. The P–P bond length is 2.24 Å. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Ce4+ and two P2- atoms. The P–P bond length is 2.33 Å.

36 MATERIALS SCIENCE↗

Materials Data on CeP2(NO4)2 by Materials Project

Ce(PO4)2N2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ce(PO4)2 framework. In the Ce(PO4)2 framework, Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.57 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom.

36 MATERIALS SCIENCE↗