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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pu2W2C3 by Materials Project

Pu2W2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu4+ is bonded to five C4- atoms to form PuC5 square pyramids that share corners with two equivalent PuC5 square pyramids, corners with seven equivalent WC4 trigonal pyramids, edges with five equivalent PuC5 square pyramids, and edges with three equivalent WC4 trigonal pyramids. There are a spread of Pu–C bond distances ranging from 2.44–2.56 Å. W2+ is bonded to four C4- atoms to form distorted WC4 trigonal pyramids that share corners with seven equivalent PuC5 square pyramids, corners with three equivalent WC4 trigonal pyramids, edges with three equivalent PuC5 square pyramids, and edges with two equivalent WC4 trigonal pyramids. There are a spread of W–C bond distances ranging from 2.05–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Pu4+ and three equivalent W2+ atoms to form CPu3W3 octahedra that share corners with three equivalent CPu4W2 octahedra and edges with nine CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 15–29°. In the second C4- site, C4- is bonded to four equivalent Pu4+ and two equivalent W2+ atoms to form a mixture of corner and edge-sharing CPu4W2 octahedra. The corner-sharing octahedra tilt angles range from 15–29°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuWC2 by Materials Project

PuWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded to seven C4- atoms to form distorted PuC7 pentagonal bipyramids that share corners with four equivalent PuC7 pentagonal bipyramids, corners with three equivalent WC5 trigonal bipyramids, edges with four equivalent PuC7 pentagonal bipyramids, edges with seven equivalent WC5 trigonal bipyramids, and faces with two equivalent PuC7 pentagonal bipyramids. There are a spread of Pu–C bond distances ranging from 2.44–2.54 Å. W5+ is bonded to five C4- atoms to form WC5 trigonal bipyramids that share corners with three equivalent PuC7 pentagonal bipyramids, corners with four equivalent WC5 trigonal bipyramids, edges with seven equivalent PuC7 pentagonal bipyramids, and edges with two equivalent WC5 trigonal bipyramids. There are a spread of W–C bond distances ranging from 2.08–2.25 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Pu3+ and two equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CPu4W2 octahedra. The corner-sharing octahedra tilt angles range from 12–59°. In the second C4- site, C4- is bonded to three equivalent Pu3+ and three equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 12–59°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2W2C3 by Materials Project

Pu2W2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu4+ is bonded in a pentagonal planar geometry to five C4- atoms. There are two shorter (2.38 Å) and three longer (2.41 Å) Pu–C bond lengths. W2+ is bonded to four C4- atoms to form a mixture of corner and edge-sharing WC4 trigonal pyramids. There are a spread of W–C bond distances ranging from 2.11–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Pu4+ and two equivalent W2+ atoms to form CPu4W2 octahedra that share corners with twelve equivalent CPu3W3 octahedra, edges with two equivalent CPu4W2 octahedra, and faces with two equivalent CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 39–58°. In the second C4- site, C4- is bonded to three equivalent Pu4+ and three equivalent W2+ atoms to form CPu3W3 octahedra that share corners with six equivalent CPu4W2 octahedra, edges with six equivalent CPu3W3 octahedra, and a faceface with one CPu4W2 octahedra. The corner-sharing octahedra tilt angles range from 39–58°.

36 MATERIALS SCIENCE↗