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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaBe12 by Materials Project

Be12Ta crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ta atom. There are a spread of Be–Be bond distances ranging from 2.15–2.34 Å. The Be–Ta bond length is 2.57 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ta atoms to form a mixture of distorted corner, edge, and face-sharing BeTa2Be10 cuboctahedra. There are two shorter (2.11 Å) and four longer (2.12 Å) Be–Be bond lengths. Both Be–Ta bond lengths are 2.79 Å. In the third Be site, Be is bonded in a distorted q6 geometry to ten Be and two equivalent Ta atoms. Both Be–Be bond lengths are 2.23 Å. Both Be–Ta bond lengths are 2.63 Å. Ta is bonded in a 12-coordinate geometry to twenty Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2Be by Materials Project

BeTa2 is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Be is bonded in a distorted q6 geometry to two equivalent Be and eight equivalent Ta atoms. Both Be–Be bond lengths are 2.45 Å. All Be–Ta bond lengths are 2.58 Å. Ta is bonded in a 4-coordinate geometry to four equivalent Be and one Ta atom. The Ta–Ta bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaBe2 by Materials Project

Be2Ta is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Be is bonded to six equivalent Be and six equivalent Ta atoms to form a mixture of face, edge, and corner-sharing BeTa6Be6 cuboctahedra. All Be–Be bond lengths are 2.31 Å. All Be–Ta bond lengths are 2.70 Å. Ta is bonded in a 12-coordinate geometry to twelve equivalent Be and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2Be17 by Materials Project

Be17Ta2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a 1-coordinate geometry to thirteen Be and one Ta atom. There are a spread of Be–Be bond distances ranging from 2.13–2.42 Å. The Be–Ta bond length is 2.59 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ta atoms to form distorted BeTa2Be10 cuboctahedra that share corners with twenty-two BeTa2Be10 cuboctahedra, edges with ten BeTa3Be9 cuboctahedra, and faces with eighteen BeTa2Be10 cuboctahedra. There are four shorter (2.11 Å) and four longer (2.14 Å) Be–Be bond lengths. Both Be–Ta bond lengths are 2.83 Å. In the third Be site, Be is bonded to ten Be and two equivalent Ta atoms to form distorted BeTa2Be10 cuboctahedra that share corners with twenty-four BeTa2Be10 cuboctahedra, edges with five BeTa3Be9 cuboctahedra, and faces with twenty-one BeTa2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.26 Å. Both Be–Ta bond lengths are 2.60 Å. In the fourth Be site, Be is bonded to nine Be and three equivalent Ta atoms to form a mixture of distorted edge, face, and corner-sharing BeTa3Be9 cuboctahedra. Both Be–Be bond lengths are 2.10 Å. There are a spread of Be–Ta bond distances ranging from 2.63–2.78 Å. Ta is bonded in a 10-coordinate geometry to nineteen Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaBe3 by Materials Project

Be3Ta crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to seven Be and five Ta atoms to form a mixture of distorted face, edge, and corner-sharing BeTa5Be7 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.15–2.32 Å. There are a spread of Be–Ta bond distances ranging from 2.59–2.85 Å. In the second Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Ta atoms. All Be–Ta bond lengths are 2.64 Å. In the third Be site, Be is bonded to six equivalent Be and six equivalent Ta atoms to form BeTa6Be6 cuboctahedra that share corners with twelve equivalent BeTa5Be7 cuboctahedra, edges with six equivalent BeTa6Be6 cuboctahedra, and faces with eighteen equivalent BeTa5Be7 cuboctahedra. All Be–Ta bond lengths are 2.69 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to twelve Be and four Ta atoms. There are three shorter (2.86 Å) and one longer (2.93 Å) Ta–Ta bond lengths. In the second Ta site, Ta is bonded in a 6-coordinate geometry to eighteen Be and two equivalent Ta atoms.

36 MATERIALS SCIENCE↗