Materials Data on GdTc3 by Materials Project
GdTc3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen Tc1- atoms. There are a spread of Gd–Tc bond distances ranging from 2.80–3.26 Å. There are three inequivalent Tc1- sites. In the first Tc1- site, Tc1- is bonded to four Gd3+ and four Tc1- atoms to form a mixture of distorted edge, corner, and face-sharing TcGd4Tc4 tetrahedra. All Tc–Tc bond lengths are 2.80 Å. In the second Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms. In the third Tc1- site, Tc1- is bonded in a 8-coordinate geometry to six Gd3+ and eight equivalent Tc1- atoms.