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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on USb2F15 by Materials Project

USb2F15 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two USb2F15 clusters. U5+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of U–F bond distances ranging from 2.01–2.66 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a trigonal bipyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.87–1.96 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.03 Å. There are fifteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one U5+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U5+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on USb2F15 by Materials Project

(USbF10)2(SbF4)2F2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two fluorine molecules, four SbF4 clusters, and two USbF10 clusters. In each SbF4 cluster, Sb5+ is bonded in a distorted trigonal pyramidal geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.97 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In each USbF10 cluster, U5+ is bonded to six F1- atoms to form UF6 octahedra that share corners with two equivalent SbF6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of U–F bond distances ranging from 1.99–2.32 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent UF6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Sb–F bond distances ranging from 1.88–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one U5+ and one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one U5+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one U5+ atom.

36 MATERIALS SCIENCE↗