Materials Data on MgNi3B2 by Materials Project

Kristin Persson
MgNi3B2 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mg–B bond lengths are 2.62 Å. There are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Ni–B bond lengths. In the second Ni+1.33+ site, Ni+1.33+...
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