Results for “InP3”

DOE OSTI2020

Materials Data on InP3 by Materials Project

InP3 is Ilmenite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. In1+ is bonded to six equivalent P+0.33- atoms to form distorted InP6 pentagonal pyramids that share corners with six equivalent InP6 pentagonal pyramids, corners with six equivalent PIn2P2 trigonal pyramids, and edges with three equivalent PIn2P2 trigonal pyramids. There are three shorter (2.67 Å) and three longer (2.96 Å) In–P bond lengths. P+0.33- is bonded to two equivalent In1+ and two equivalent P+0.33- atoms to form distorted PIn2P2 trigonal pyramids that share corners with two equivalent InP6 pentagonal pyramids, corners with eight equivalent PIn2P2 trigonal pyramids, an edgeedge with one InP6 pentagonal pyramid, and edges with two equivalent PIn2P2 trigonal pyramids. Both P–P bond lengths are 2.22 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on InP3(HO5)2 by Materials Project

InH2P3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In3+ is bonded to five O2- atoms to form InO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.11–2.15 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent InO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent InO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one InO5 trigonal bipyramid and an edgeedge with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.66 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.45 Å) H–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one In3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to two equivalent P5+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one P5+ atom.

36 MATERIALS SCIENCE↗