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Materials Data on GdB4 by Materials Project

GdB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to eighteen B atoms. There are a spread of Gd–B bond distances ranging from 2.74–3.08 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Gd and five B atoms. There are a spread of B–B bond distances ranging from 1.73–1.82 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Gd and five B atoms. The B–B bond length is 1.65 Å. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Gd and three B atoms. The B–B bond length is 1.76 Å.

36 MATERIALS SCIENCE↗