Materials Data on Mg3TcH7 by Materials Project
Mg3TcH7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six equivalent H+0.43- atoms. All Mg–H bond lengths are 2.14 Å. In the second Mg2+ site, Mg2+ is bonded in a 1-coordinate geometry to four H+0.43- atoms. There are one shorter (1.92 Å) and three longer (2.22 Å) Mg–H bond lengths. Tc3- is bonded in an octahedral geometry to six equivalent H+0.43- atoms. All Tc–H bond lengths are 1.75 Å. There are two inequivalent H+0.43- sites. In the first H+0.43- site, H+0.43- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the second H+0.43- site, H+0.43- is bonded in a distorted T-shaped geometry to two Mg2+ and one Tc3- atom.