Materials Data on ErNi7B3 by Materials Project
ErNi7B3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to fourteen Ni and four equivalent B atoms. There are a spread of Er–Ni bond distances ranging from 2.60–3.13 Å. All Er–B bond lengths are 2.86 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Er and four B atoms. There are two shorter (2.15 Å) and two longer (2.22 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Er and three B atoms. There are two shorter (2.02 Å) and one longer (2.09 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the fourth Ni site, Ni is bonded in a distorted square co-planar geometry to two equivalent Er and four B atoms. There are two shorter (2.17 Å) and two longer (2.21 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Er and seven Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Ni and one B atom. The B–B bond length is 1.82 Å.