Materials Data on Ta by Materials Project

Abstract

Ta is beta Uranium structured and crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are eight inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.74–3.31 Å. In the second Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. There are a spread of Ta–Ta bond distances ranging from 2.76–3.14 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.66–3.38 Å. In the fourth Ta site, Ta is bonded in a 2-coordinate geometry to fifteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.82–3.37 Å. In the fifth Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.96–3.24 Å. In the sixth Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. The Ta–Ta bond length is 2.76 Å. In the seventh Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. In the eighth Ta site, Ta is bonded in a 6-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.74–3.31 Å.