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DOE OSTI · 1330033

Materials Data on Sr3PN by Materials Project

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Abstract

Sr3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a linear geometry to four equivalent P3- and two equivalent N3- atoms. All Sr–P bond lengths are 3.59 Å. Both Sr–N bond lengths are 2.54 Å. P3- is bonded to twelve equivalent Sr2+ atoms to form PSr12 cuboctahedra that share corners with twelve equivalent PSr12 cuboctahedra, faces with six equivalent PSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent PSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureN-P-SrSr3PN

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2020-07-23. Materials Data on Sr3PN by Materials Project. https://doi.org/10.17188/1330033

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