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Results for “Cl-Pu-Rb”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2PuCl5 by Materials Project

Rb2PuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–3.55 Å. Pu3+ is bonded to seven Cl1- atoms to form distorted edge-sharing PuCl7 pentagonal bipyramids. There are a spread of Pu–Cl bond distances ranging from 2.75–2.88 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Pu3+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pu3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pu3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PuCl6 by Materials Project

Rb2PuCl6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent PuCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.63–3.88 Å. In the second Rb1+ site, Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with three equivalent PuCl6 octahedra, faces with eight RbCl12 cuboctahedra, and faces with three equivalent PuCl6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Rb–Cl bond distances ranging from 3.70–3.77 Å. Pu4+ is bonded to six Cl1- atoms to form PuCl6 octahedra that share corners with three equivalent RbCl12 cuboctahedra and faces with seven RbCl12 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) Pu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Pu4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Pu4+ atom.

36 MATERIALS SCIENCE↗