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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfBe13 by Materials Project

Be13Hf crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Hf atoms to form a mixture of distorted edge, face, and corner-sharing BeHf2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.11–2.31 Å. Both Be–Hf bond lengths are 2.92 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. Hf is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBe5 by Materials Project

Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBe2 by Materials Project

HfBe2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to three equivalent Be and six equivalent Hf atoms. All Be–Be bond lengths are 2.19 Å. All Be–Hf bond lengths are 2.70 Å. Hf is bonded to twelve equivalent Be atoms to form a mixture of edge and face-sharing HfBe12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBe by Materials Project

BeHf is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to two equivalent Be and seven equivalent Hf atoms. Both Be–Be bond lengths are 2.24 Å. There are a spread of Be–Hf bond distances ranging from 2.66–2.89 Å. Hf is bonded in a 7-coordinate geometry to seven equivalent Be atoms.

36 MATERIALS SCIENCE↗