SEARCH · Engineering Papers
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Explore the source record for details and available documents.
Explore the source record for details and available documents.
Explore the source record for details and available documents.
Explore the source record for details and available documents.
Explore the source record for details and available documents.
Explore the source record for details and available documents.
PuRu3B2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. Both Pu–Pu bond lengths are 2.94 Å. There are a spread of Pu–Ru bond distances ranging from 3.14–3.16 Å. All Pu–B bond lengths are 3.20 Å. In the second Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. There are a spread of Pu–Ru bond distances ranging from 3.14–3.16 Å. There are two shorter (3.20 Å) and four longer (3.21 Å) Pu–B bond lengths. In the third Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. Both Pu–Pu bond lengths are 2.94 Å. There are a spread of Pu–Ru bond distances ranging from 3.14–3.16 Å. All Pu–B bond lengths are 3.22 Å. In the fourth Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. Both Pu–Pu bond lengths are 2.94 Å. There are a spread of Pu–Ru bond distances ranging from 3.14–3.16 Å. There are a spread of Pu–B bond distances ranging from 3.21–3.23 Å. In the fifth Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. Both Pu–Pu bond lengths are 2.94 Å. There are a spread of Pu–Ru bond distances ranging from 3.13–3.15 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Pu–B bond lengths. In the sixth Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. There are a spread of Pu–Ru bond distances ranging from 3.14–3.17 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Pu–B bond lengths. In the seventh Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. There are a spread of Pu–Ru bond distances ranging from 3.14–3.16 Å. There are four shorter (3.21 Å) and two longer (3.23 Å) Pu–B bond lengths. In the eighth Pu site, Pu is bonded in a 12-coordinate geometry to two equivalent Pu, twelve Ru, and six B atoms. There are a spread of Pu–Ru bond distances ranging from 3.13–3.15 Å. There are two shorter (3.21 Å) and four longer (3.22 Å) Pu–B bond lengths. There are twelve inequivalent Ru sites. In the first Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are one shorter (2.17 Å) and three longer (2.18 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Ru–B bond lengths. In the third Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. All Ru–B bond lengths are 2.18 Å. In the fourth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are three shorter (2.18 Å) and one longer (2.19 Å) Ru–B bond lengths. In the fifth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. All Ru–B bond lengths are 2.19 Å. In the sixth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Ru–B bond lengths. In the seventh Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. All Ru–B bond lengths are 2.18 Å. In the eighth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Ru–B bond lengths. In the ninth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are three shorter (2.17 Å) and one longer (2.18 Å) Ru–B bond lengths. In the tenth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are one shorter (2.17 Å) and three longer (2.18 Å) Ru–B bond lengths. In the eleventh Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. All Ru–B bond lengths are 2.17 Å. In the twelfth Ru site, Ru is bonded in a distorted square co-planar geometry to four Pu and four B atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Ru–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the second B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the third B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the fifth B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the sixth B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the seventh B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms. In the eighth B site, B is bonded in a 6-coordinate geometry to three Pu and six Ru atoms.
PuMnAl is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Mn, and seven Al atoms. There are a spread of Pu–Pu bond distances ranging from 3.28–3.44 Å. There are a spread of Pu–Mn bond distances ranging from 2.99–3.23 Å. There are three shorter (3.16 Å) and four longer (3.19 Å) Pu–Al bond lengths. In the second Pu site, Pu is bonded in a 9-coordinate geometry to four Pu, seven Mn, and five Al atoms. There are one shorter (2.89 Å) and two longer (3.34 Å) Pu–Pu bond lengths. There are a spread of Pu–Mn bond distances ranging from 3.03–3.24 Å. There are one shorter (3.11 Å) and four longer (3.23 Å) Pu–Al bond lengths. In the third Pu site, Pu is bonded in a 9-coordinate geometry to four Pu, seven Mn, and five Al atoms. There are one shorter (3.28 Å) and two longer (3.34 Å) Pu–Pu bond lengths. There are a spread of Pu–Mn bond distances ranging from 3.03–3.24 Å. There are one shorter (3.11 Å) and four longer (3.23 Å) Pu–Al bond lengths. In the fourth Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Mn, and seven Al atoms. Both Pu–Pu bond lengths are 3.34 Å. There are a spread of Pu–Mn bond distances ranging from 2.99–3.23 Å. There are three shorter (3.16 Å) and four longer (3.19 Å) Pu–Al bond lengths. In the fifth Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Mn, and seven Al atoms. The Pu–Pu bond length is 3.44 Å. There are a spread of Pu–Mn bond distances ranging from 2.99–3.23 Å. There are three shorter (3.16 Å) and four longer (3.19 Å) Pu–Al bond lengths. In the sixth Pu site, Pu is bonded in a 9-coordinate geometry to four Pu, seven Mn, and five Al atoms. There are one shorter (2.89 Å) and one longer (3.28 Å) Pu–Pu bond lengths. There are a spread of Pu–Mn bond distances ranging from 3.03–3.24 Å. There are one shorter (3.11 Å) and four longer (3.23 Å) Pu–Al bond lengths. In the seventh Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Mn, and seven Al atoms. There are a spread of Pu–Mn bond distances ranging from 2.99–3.23 Å. There are three shorter (3.16 Å) and four longer (3.19 Å) Pu–Al bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six Pu and six Al atoms to form MnPu6Al6 cuboctahedra that share corners with four equivalent AlPu6Mn4Al2 cuboctahedra, corners with fourteen MnPu6Al6 cuboctahedra, edges with six MnPu6Al6 cuboctahedra, faces with four equivalent MnPu6Mn4Al2 cuboctahedra, and faces with fourteen AlPu6Mn4Al2 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.65–2.71 Å. In the second Mn site, Mn is bonded to six Pu, four Mn, and two equivalent Al atoms to form MnPu6Mn4Al2 cuboctahedra that share corners with eight MnPu6Al6 cuboctahedra, corners with ten AlPu6Mn4Al2 cuboctahedra, edges with two equivalent MnPu6Mn4Al2 cuboctahedra, edges with four equivalent AlPu6Mn2Al4 cuboctahedra, faces with eight AlPu6Mn4Al2 cuboctahedra, and faces with ten MnPu6Al6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.67–2.77 Å. Both Mn–Al bond lengths are 2.62 Å. In the third Mn site, Mn is bonded to six Pu, four equivalent Mn, and two equivalent Al atoms to form MnPu6Mn4Al2 cuboctahedra that share corners with six MnPu6Al6 cuboctahedra, corners with twelve AlPu6Mn4Al2 cuboctahedra, edges with six MnPu6Al6 cuboctahedra, faces with eight equivalent MnPu6Mn4Al2 cuboctahedra, and faces with ten AlPu6Mn4Al2 cuboctahedra. Both Mn–Al bond lengths are 2.61 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Pu, four Mn, and two equivalent Al atoms to form AlPu6Mn4Al2 cuboctahedra that share corners with four equivalent AlPu6Mn2Al4 cuboctahedra, corners with eight MnPu6Al6 cuboctahedra, edges with six equivalent AlPu6Mn4Al2 cuboctahedra, faces with eight AlPu6Mn4Al2 cuboctahedra, and faces with twelve MnPu6Al6 cuboctahedra. Both Al–Al bond lengths are 2.74 Å. In the second Al site, Al is bonded to six Pu, two equivalent Mn, and four Al atoms to form AlPu6Mn2Al4 cuboctahedra that share corners with eight AlPu6Mn4Al2 cuboctahedra, corners with ten MnPu6Mn4Al2 cuboctahedra, edges with two equivalent AlPu6Mn2Al4 cuboctahedra, edges with four equivalent MnPu6Mn4Al2 cuboctahedra, faces with eight MnPu6Al6 cuboctahedra, and faces with ten AlPu6Mn4Al2 cuboctahedra. There are one shorter (2.67 Å) and one longer (2.81 Å) Al–Al bond lengths.
PuFeAl is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Fe, and seven Al atoms. There are a spread of Pu–Pu bond distances ranging from 3.09–3.52 Å. There are a spread of Pu–Fe bond distances ranging from 2.94–3.24 Å. There are a spread of Pu–Al bond distances ranging from 3.09–3.18 Å. In the second Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, seven Fe, and five Al atoms. There are one shorter (2.92 Å) and two longer (3.32 Å) Pu–Pu bond lengths. There are a spread of Pu–Fe bond distances ranging from 2.96–3.23 Å. There are a spread of Pu–Al bond distances ranging from 3.03–3.18 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, seven Fe, and five Al atoms. There are one shorter (3.09 Å) and two longer (3.32 Å) Pu–Pu bond lengths. There are a spread of Pu–Fe bond distances ranging from 2.96–3.23 Å. There are a spread of Pu–Al bond distances ranging from 3.03–3.18 Å. In the fourth Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, five Fe, and seven Al atoms. There are one shorter (3.09 Å) and one longer (3.52 Å) Pu–Pu bond lengths. There are a spread of Pu–Fe bond distances ranging from 2.94–3.24 Å. There are a spread of Pu–Al bond distances ranging from 3.09–3.18 Å. In the fifth Pu site, Pu is bonded in a 12-coordinate geometry to four Pu, seven Fe, and five Al atoms. The Pu–Pu bond length is 2.92 Å. There are a spread of Pu–Fe bond distances ranging from 2.96–3.23 Å. There are a spread of Pu–Al bond distances ranging from 3.03–3.18 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six Pu and six Al atoms to form distorted FePu6Al6 cuboctahedra that share corners with four equivalent AlPu6Al2Fe4 cuboctahedra, corners with fourteen FePu6Al6 cuboctahedra, edges with six FePu6Al6 cuboctahedra, faces with four equivalent FePu6Al2Fe4 cuboctahedra, and faces with fourteen AlPu6Al2Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.58–2.66 Å. In the second Fe site, Fe is bonded to six Pu, four Fe, and two equivalent Al atoms to form distorted FePu6Al2Fe4 cuboctahedra that share corners with eight FePu6Al6 cuboctahedra, corners with ten AlPu6Al2Fe4 cuboctahedra, edges with two equivalent FePu6Al2Fe4 cuboctahedra, edges with four equivalent AlPu6Al4Fe2 cuboctahedra, faces with eight AlPu6Al2Fe4 cuboctahedra, and faces with ten FePu6Al6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.60–2.78 Å. Both Fe–Al bond lengths are 2.59 Å. In the third Fe site, Fe is bonded to six Pu, four equivalent Fe, and two equivalent Al atoms to form distorted FePu6Al2Fe4 cuboctahedra that share corners with six FePu6Al6 cuboctahedra, corners with twelve AlPu6Al2Fe4 cuboctahedra, edges with six FePu6Al6 cuboctahedra, faces with eight equivalent FePu6Al2Fe4 cuboctahedra, and faces with ten AlPu6Al2Fe4 cuboctahedra. Both Fe–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Pu, four Fe, and two equivalent Al atoms to form distorted AlPu6Al2Fe4 cuboctahedra that share corners with four equivalent AlPu6Al4Fe2 cuboctahedra, corners with eight FePu6Al6 cuboctahedra, edges with six equivalent AlPu6Al2Fe4 cuboctahedra, faces with eight AlPu6Al2Fe4 cuboctahedra, and faces with twelve FePu6Al6 cuboctahedra. Both Al–Al bond lengths are 2.74 Å. In the second Al site, Al is bonded to six Pu, two equivalent Fe, and four Al atoms to form distorted AlPu6Al4Fe2 cuboctahedra that share corners with eight AlPu6Al2Fe4 cuboctahedra, corners with ten FePu6Al2Fe4 cuboctahedra, edges with two equivalent AlPu6Al4Fe2 cuboctahedra, edges with four equivalent FePu6Al2Fe4 cuboctahedra, faces with eight FePu6Al6 cuboctahedra, and faces with ten AlPu6Al2Fe4 cuboctahedra. There are one shorter (2.67 Å) and one longer (2.78 Å) Al–Al bond lengths.
Pu4Ce is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded to nine Pu and three equivalent Ce atoms to form PuCe3Pu9 cuboctahedra that share corners with twelve PuCe3Pu9 cuboctahedra, edges with six equivalent CeCe6Pu6 cuboctahedra, edges with eighteen PuCe3Pu9 cuboctahedra, faces with six equivalent CeCe6Pu6 cuboctahedra, and faces with twelve PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. All Pu–Ce bond lengths are 3.34 Å. In the second Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.21 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the third Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the fourth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuPu12 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuPu12 cuboctahedra, and faces with eighteen PuPu12 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.20–3.29 Å. In the fifth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuPu12 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuPu12 cuboctahedra, and faces with eighteen PuPu12 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. In the sixth Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.20–3.29 Å. In the seventh Pu site, Pu is bonded to twelve Pu atoms to form PuPu12 cuboctahedra that share corners with three equivalent CeCe6Pu6 cuboctahedra, corners with nine PuCe3Pu9 cuboctahedra, edges with three equivalent CeCe6Pu6 cuboctahedra, edges with twenty-one PuCe3Pu9 cuboctahedra, and faces with eighteen PuCe3Pu9 cuboctahedra. There are three shorter (3.20 Å) and six longer (3.29 Å) Pu–Pu bond lengths. Ce is bonded to six equivalent Pu and six equivalent Ce atoms to form CeCe6Pu6 cuboctahedra that share corners with six PuPu12 cuboctahedra, corners with six equivalent CeCe6Pu6 cuboctahedra, edges with six equivalent CeCe6Pu6 cuboctahedra, edges with eighteen PuCe3Pu9 cuboctahedra, faces with six equivalent CeCe6Pu6 cuboctahedra, and faces with twelve equivalent PuCe3Pu9 cuboctahedra. All Ce–Ce bond lengths are 3.29 Å.
Pu3Nd crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Pu bond distances ranging from 3.01–3.82 Å. There are a spread of Pu–Nd bond distances ranging from 3.42–3.49 Å. In the second Pu site, Pu is bonded to eight Pu and four Nd atoms to form distorted PuNd4Pu8 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with six equivalent PuNd4Pu8 cuboctahedra, edges with six NdPu12 cuboctahedra, faces with four NdPu12 cuboctahedra, and faces with eight PuNd4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.23–3.66 Å. There are a spread of Pu–Nd bond distances ranging from 3.41–3.44 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are two shorter (3.28 Å) and two longer (3.29 Å) Pu–Pu bond lengths. There are a spread of Pu–Nd bond distances ranging from 3.39–3.55 Å. In the fourth Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Pu bond distances ranging from 3.01–3.82 Å. There are a spread of Pu–Nd bond distances ranging from 3.38–3.55 Å. In the fifth Pu site, Pu is bonded to eight Pu and four Nd atoms to form distorted PuNd4Pu8 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with six equivalent PuNd4Pu8 cuboctahedra, edges with six NdPu12 cuboctahedra, faces with four NdPu12 cuboctahedra, and faces with eight PuNd4Pu8 cuboctahedra. There are one shorter (3.36 Å) and one longer (3.57 Å) Pu–Pu bond lengths. There are one shorter (3.40 Å) and three longer (3.43 Å) Pu–Nd bond lengths. In the sixth Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Nd bond distances ranging from 3.42–3.52 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with six equivalent NdPu12 cuboctahedra, edges with six PuNd4Pu8 cuboctahedra, faces with four PuNd4Pu8 cuboctahedra, and faces with eight NdPu12 cuboctahedra. In the second Nd site, Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with six equivalent NdPu12 cuboctahedra, edges with six PuNd4Pu8 cuboctahedra, faces with four PuNd4Pu8 cuboctahedra, and faces with eight NdPu12 cuboctahedra.
Pu2Pt is Cotunnite structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pu sites. In the first Pu site, Pu is bonded to four Pt atoms to form a mixture of edge and corner-sharing PuPt4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.93 Å) Pu–Pt bond lengths. In the second Pu site, Pu is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing PuPt4 tetrahedra. There are three shorter (2.93 Å) and one longer (2.95 Å) Pu–Pt bond lengths. In the third Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.96–3.45 Å. In the fourth Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.94–3.48 Å. In the fifth Pu site, Pu is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.96–3.52 Å. In the sixth Pu site, Pu is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.93–3.53 Å. In the seventh Pu site, Pu is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing PuPt4 tetrahedra. There are a spread of Pu–Pt bond distances ranging from 2.91–2.94 Å. In the eighth Pu site, Pu is bonded to four Pt atoms to form a mixture of edge and corner-sharing PuPt4 tetrahedra. There are one shorter (2.91 Å) and three longer (2.93 Å) Pu–Pt bond lengths. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the fourth Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms.
Here, an approach to obtaining substantial amounts of data from a hazardous starting material that can only be obtained and handled in small quantities is demonstrated by the investigation of a single small-scale reaction of cyclooctatetraene, C 8 H 8 , with a solution obtained from the reduction of Cp' 3 Pu (Cp' = C 5 H 4 SiMe 3 ) with potassium graphite. This one reaction coupled with oxidation of a product has provided single-crystal X-ray structural data on three organoplutonium compounds as well as information on redox chemistry thereby demonstrating an efficient route to new reactivity and structural information on this highly radioactive element. The crystal structures were obtained from the reduction of C 8 H 8 by a putative Pu(II) complex, (Cp' 3 Pu II ) 1– , generated in situ, to form the Pu(III) cyclooctatetraenide complex, [K(crypt)][(C 8 H 8 ) 2 Pu III ], 1-Pu , and the tetra(cyclopentadienyl) Pu(III) complex, [K(crypt)][Cp' 4 Pu III ], 2-Pu . Oxidation of the sample of 1-Pu with Ag(I) afforded a third organoplutonium complex that has been structurally characterized for the first time, (C 8 H 8 ) 2 Pu IV , 3-Pu . Complexes 1-Pu and 3-Pu contain Pu sandwiched between parallel (C 8 H 8 ) 2– rings. The (Cp' 4 Pu III ) – anion in 2-Pu features three η 5 -Cp' rings and one η 1 -Cp' ring, which is a rare example of a formal Pu–C η 1 -bond. In addition, this study addresses the challenge of small-scale synthesis imparted by radiological and material availability of transuranium isotopes, in particular that of pure metal samples. A route to an anhydrous Pu(III) starting material from the more readily available Pu IV O 2 was developed to facilitate reproducible syntheses and allow complete spectroscopic analysis of 1-Pu and 2-Pu . Pu IV O 2 was converted to Pu III Br 3 (DME) 2 (DME = CH 3 OCH 2 CH 2 OCH 3 ) and subsequently Pu III Br 3 (THF) x , which was used to independently synthesize 1-Pu , 2-Pu , and 3-Pu .
Pu5Pt3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are seven inequivalent Pu sites. In the first Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.92–3.24 Å. In the second Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.90–3.24 Å. In the third Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are two shorter (3.02 Å) and four longer (3.03 Å) Pu–Pt bond lengths. In the fourth Pu site, Pu is bonded in a 5-coordinate geometry to five Pt atoms. There are a spread of Pu–Pt bond distances ranging from 2.91–3.24 Å. In the fifth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. All Pu–Pt bond lengths are 3.04 Å. In the sixth Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are two shorter (3.02 Å) and four longer (3.03 Å) Pu–Pt bond lengths. In the seventh Pu site, Pu is bonded in a 6-coordinate geometry to six Pt atoms. There are four shorter (3.03 Å) and two longer (3.04 Å) Pu–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to nine Pu atoms.
PuZr is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to six equivalent Pu and six equivalent Zr atoms to form PuPu6Zr6 cuboctahedra that share corners with twelve PuPu6Zr6 cuboctahedra, edges with twelve PuPu6Zr6 cuboctahedra, edges with twelve equivalent ZrPu6Zr6 cuboctahedra, faces with six equivalent PuPu6Zr6 cuboctahedra, and faces with twelve equivalent ZrPu6Zr6 cuboctahedra. All Pu–Pu bond lengths are 3.28 Å. All Pu–Zr bond lengths are 3.24 Å. In the second Pu site, Pu is bonded to six equivalent Pu and six Zr atoms to form PuPu6Zr6 cuboctahedra that share corners with five equivalent ZrPu6Zr10 cuboctahedra, corners with twelve PuPu6Zr6 cuboctahedra, edges with ten ZrPu6Zr6 cuboctahedra, edges with twelve PuPu6Zr6 cuboctahedra, faces with six equivalent PuPu6Zr6 cuboctahedra, and faces with fifteen ZrPu6Zr6 cuboctahedra. All Pu–Pu bond lengths are 3.28 Å. All Pu–Zr bond lengths are 3.24 Å. In the third Pu site, Pu is bonded to six equivalent Pu and six Zr atoms to form PuPu6Zr6 cuboctahedra that share corners with five equivalent ZrPu6Zr10 cuboctahedra, corners with twelve PuPu6Zr6 cuboctahedra, edges with ten ZrPu6Zr6 cuboctahedra, edges with twelve PuPu6Zr6 cuboctahedra, faces with six equivalent PuPu6Zr6 cuboctahedra, and faces with fifteen ZrPu6Zr6 cuboctahedra. All Pu–Pu bond lengths are 3.28 Å. All Pu–Zr bond lengths are 3.24 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded to six Pu and six equivalent Zr atoms to form ZrPu6Zr6 cuboctahedra that share corners with twelve ZrPu6Zr6 cuboctahedra, edges with twelve PuPu6Zr6 cuboctahedra, edges with twelve ZrPu6Zr6 cuboctahedra, faces with six equivalent ZrPu6Zr6 cuboctahedra, and faces with twelve PuPu6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.28 Å. In the second Zr site, Zr is bonded to six Pu and ten equivalent Zr atoms to form ZrPu6Zr10 cuboctahedra that share corners with ten PuPu6Zr6 cuboctahedra, corners with twelve ZrPu6Zr6 cuboctahedra, edges with eight PuPu6Zr6 cuboctahedra, edges with sixteen ZrPu6Zr6 cuboctahedra, faces with sixteen equivalent ZrPu6Zr10 cuboctahedra, and faces with eighteen PuPu6Zr6 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.28–6.55 Å.
PuTh is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to six equivalent Pu and six equivalent Th atoms to form PuPu6Th6 cuboctahedra that share corners with twelve PuPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, edges with twelve equivalent ThPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with twelve equivalent ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. In the second Pu site, Pu is bonded to six equivalent Pu and six Th atoms to form PuPu6Th6 cuboctahedra that share corners with five equivalent ThPu6Th10 cuboctahedra, corners with twelve PuPu6Th6 cuboctahedra, edges with ten ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with fifteen ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. In the third Pu site, Pu is bonded to six equivalent Pu and six Th atoms to form PuPu6Th6 cuboctahedra that share corners with five equivalent ThPu6Th10 cuboctahedra, corners with twelve PuPu6Th6 cuboctahedra, edges with ten ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, faces with six equivalent PuPu6Th6 cuboctahedra, and faces with fifteen ThPu6Th6 cuboctahedra. All Pu–Pu bond lengths are 3.49 Å. All Pu–Th bond lengths are 3.45 Å. There are two inequivalent Th sites. In the first Th site, Th is bonded to six Pu and six equivalent Th atoms to form ThPu6Th6 cuboctahedra that share corners with twelve ThPu6Th6 cuboctahedra, edges with twelve PuPu6Th6 cuboctahedra, edges with twelve ThPu6Th6 cuboctahedra, faces with six equivalent ThPu6Th6 cuboctahedra, and faces with twelve PuPu6Th6 cuboctahedra. All Th–Th bond lengths are 3.49 Å. In the second Th site, Th is bonded to six Pu and ten equivalent Th atoms to form ThPu6Th10 cuboctahedra that share corners with ten PuPu6Th6 cuboctahedra, corners with twelve ThPu6Th6 cuboctahedra, edges with eight PuPu6Th6 cuboctahedra, edges with sixteen ThPu6Th6 cuboctahedra, faces with sixteen equivalent ThPu6Th10 cuboctahedra, and faces with eighteen PuPu6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.49–6.98 Å.
Pu3Zn22 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.11–3.46 Å. In the second Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Pu–Zn bond distances ranging from 3.07–3.43 Å. There are ten inequivalent Zn sites. In the first Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the second Zn site, Zn is bonded to two Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with nineteen ZnPu2Zn10 cuboctahedra, edges with two equivalent ZnPu3Zn9 cuboctahedra, and faces with twenty ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.62–2.97 Å. In the third Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.83 Å. In the fourth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.76 Å. In the fifth Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form distorted ZnPu2Zn10 cuboctahedra that share corners with eighteen ZnPu2Zn10 cuboctahedra, edges with eight ZnPu3Zn9 cuboctahedra, and faces with eighteen ZnPu2Zn10 cuboctahedra. There are four shorter (2.65 Å) and two longer (2.67 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded to two Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–2.83 Å. In the seventh Zn site, Zn is bonded to two equivalent Pu and ten Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu2Zn10 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the eighth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.74 Å. In the ninth Zn site, Zn is bonded to three Pu and nine Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnPu3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.76 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to two Pu and nine Zn atoms.
Pu3Th is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Th atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent ThPu12 cuboctahedra, corners with fourteen PuPu8Th4 cuboctahedra, edges with six equivalent ThPu12 cuboctahedra, edges with twelve PuPu8Th4 cuboctahedra, faces with four equivalent ThPu12 cuboctahedra, and faces with sixteen PuPu8Th4 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.35–3.51 Å. There are two shorter (3.39 Å) and two longer (3.45 Å) Pu–Th bond lengths. In the second Pu site, Pu is bonded to eight Pu and four equivalent Th atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent ThPu12 cuboctahedra, corners with fourteen PuPu8Th4 cuboctahedra, edges with six equivalent ThPu12 cuboctahedra, edges with twelve PuPu8Th4 cuboctahedra, faces with four equivalent ThPu12 cuboctahedra, and faces with sixteen PuPu8Th4 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.35–3.51 Å. There are two shorter (3.39 Å) and two longer (3.45 Å) Pu–Th bond lengths. In the third Pu site, Pu is bonded to eight Pu and four equivalent Th atoms to form PuPu8Th4 cuboctahedra that share corners with four equivalent ThPu12 cuboctahedra, corners with fourteen PuPu8Th4 cuboctahedra, edges with six equivalent ThPu12 cuboctahedra, edges with twelve PuPu8Th4 cuboctahedra, faces with four equivalent ThPu12 cuboctahedra, and faces with sixteen PuPu8Th4 cuboctahedra. There are one shorter (3.38 Å) and one longer (3.51 Å) Pu–Pu bond lengths. There are two shorter (3.39 Å) and two longer (3.45 Å) Pu–Th bond lengths. Th is bonded to twelve Pu atoms to form ThPu12 cuboctahedra that share corners with six equivalent ThPu12 cuboctahedra, corners with twelve PuPu8Th4 cuboctahedra, edges with eighteen PuPu8Th4 cuboctahedra, faces with eight equivalent ThPu12 cuboctahedra, and faces with twelve PuPu8Th4 cuboctahedra.