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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfPd3 by Materials Project

Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. In the second Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.86 Å) Hf–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Hf atoms. In the second Pd site, Pd is bonded in a distorted see-saw-like geometry to four Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Pd by Materials Project

Hf2Pd crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hf2Pd sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 4-coordinate geometry to four equivalent Pd atoms. All Hf–Pd bond lengths are 2.89 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfPd by Materials Project

HfPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Hf–Pd bond lengths are 2.88 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfPd5 by Materials Project

HfPd5 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two HfPd5 sheets oriented in the (0, 1, 0) direction. Hf is bonded to twelve Pd atoms to form HfPd12 cuboctahedra that share corners with four equivalent HfPd12 cuboctahedra, faces with four equivalent HfPd12 cuboctahedra, and faces with four equivalent PdHf4Pd8 cuboctahedra. There are a spread of Hf–Pd bond distances ranging from 2.79–2.85 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted L-shaped geometry to two equivalent Hf and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.80 Å. In the second Pd site, Pd is bonded to four equivalent Hf and eight Pd atoms to form distorted PdHf4Pd8 cuboctahedra that share corners with four equivalent PdHf4Pd8 cuboctahedra, faces with four equivalent HfPd12 cuboctahedra, and faces with four equivalent PdHf4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.81 Å. In the third Pd site, Pd is bonded in a distorted L-shaped geometry to two equivalent Hf and two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfPd3 by Materials Project

Pd3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Pd atoms to form a mixture of corner and face-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfPd by Materials Project

HfPd is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Hf–Pd bond distances ranging from 2.77–2.91 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Hf atoms.

36 MATERIALS SCIENCE↗