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Materials Data on Pu(IO3)4 by Materials Project

Pu(O3I)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Pu(O3I)4 ribbons oriented in the (0, 0, 1) direction. Pu4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) Pu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.87 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on PuIO by Materials Project

PuOI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one PuOI sheet oriented in the (0, 0, 1) direction. Pu3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Pu–O bond lengths are 2.32 Å. All Pu–I bond lengths are 3.41 Å. O2- is bonded to four equivalent Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pu2I2O by Materials Project

Pu2OI2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pu2OI2 cluster. Pu is bonded in a distorted linear geometry to one O and one I atom. The Pu–O bond length is 2.02 Å. The Pu–I bond length is 2.85 Å. O is bonded in a linear geometry to two equivalent Pu atoms. I is bonded in a single-bond geometry to one Pu atom.

36 MATERIALS SCIENCE↗

Materials Data on Pu2IO10 by Materials Project

Pu2O10I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Pu2O10I sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pu–O bond distances ranging from 1.77–2.61 Å. In the second Pu site, Pu is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pu–O bond distances ranging from 1.77–2.53 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Pu atom. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Pu and one I atom. The O–I bond length is 1.90 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two Pu and one I atom. The O–I bond length is 1.92 Å. In the fifth O site, O is bonded in a single-bond geometry to one Pu atom. In the sixth O site, O is bonded in a single-bond geometry to one Pu atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Pu atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Pu and one I atom. The O–I bond length is 2.37 Å. In the ninth O site, O is bonded in a single-bond geometry to one Pu atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two Pu and one I atom. The O–I bond length is 2.48 Å. I is bonded in a 5-coordinate geometry to five O atoms.

36 MATERIALS SCIENCE↗