Materials Data on ZrTaNO by Materials Project
ZrTaNO crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zr–O bond lengths are 2.12 Å. Ta3+ is bonded to three equivalent N3- and two equivalent O2- atoms to form corner-sharing TaN3O2 trigonal bipyramids. All Ta–N bond lengths are 2.12 Å. Both Ta–O bond lengths are 2.28 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ta3+ atoms. O2- is bonded to three equivalent Zr2+ and two equivalent Ta3+ atoms to form corner-sharing OZr3Ta2 trigonal bipyramids.
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