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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaC by Materials Project

TaC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.24 Å. C4- is bonded to six equivalent Ta4+ atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2C by Materials Project

Ta2C is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ta2C sheet oriented in the (0, 0, 1) direction. Ta is bonded in a distorted T-shaped geometry to three equivalent C atoms. All Ta–C bond lengths are 2.20 Å. C is bonded to six equivalent Ta atoms to form edge-sharing CTa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaC by Materials Project

TaC is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta4+ is bonded to six equivalent C4- atoms to form a mixture of distorted edge, face, and corner-sharing TaC6 pentagonal pyramids. All Ta–C bond lengths are 2.28 Å. C4- is bonded to six equivalent Ta4+ atoms to form a mixture of distorted edge, face, and corner-sharing CTa6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaC by Materials Project

TaC is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta4+ is bonded to four equivalent C4- atoms to form corner-sharing TaC4 tetrahedra. All Ta–C bond lengths are 2.10 Å. C4- is bonded to four equivalent Ta4+ atoms to form corner-sharing CTa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaC by Materials Project

TaC is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Ta–C bond lengths are 2.42 Å. C4- is bonded in a body-centered cubic geometry to eight equivalent Ta4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta4C3 by Materials Project

Ta4C3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Ta–C bond lengths are 2.22 Å. In the second Ta3+ site, Ta3+ is bonded to six equivalent C4- atoms to form corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.22 Å. C4- is bonded to six Ta3+ atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta3C by Materials Project

Ta3C is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a distorted see-saw-like geometry to four equivalent C atoms. There are two shorter (2.72 Å) and two longer (2.83 Å) Ta–C bond lengths. C is bonded to twelve equivalent Ta atoms to form a mixture of face and corner-sharing CTa12 cuboctahedra.

36 MATERIALS SCIENCE↗