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DOE OSTI · 1727456

Materials Data on Sr2NiN2 by Materials Project

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Abstract

Sr2NiN2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.62 Å) and four longer (2.73 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.72 Å) Sr–N bond lengths. Ni2+ is bonded in a linear geometry to two N3- atoms. Both Ni–N bond lengths are 1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–3°.

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36 MATERIALS SCIENCEcrystal structureN-Ni-SrSr2NiN2

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2019-01-12. Materials Data on Sr2NiN2 by Materials Project. https://doi.org/10.17188/1727456

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