Materials Data on Ca3PN by Materials Project
Ca3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent P3- and two equivalent N3- atoms. All Ca–P bond lengths are 3.34 Å. Both Ca–N bond lengths are 2.36 Å. P3- is bonded to twelve equivalent Ca2+ atoms to form PCa12 cuboctahedra that share corners with twelve equivalent PCa12 cuboctahedra, faces with six equivalent PCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N3- is bonded to six equivalent Ca2+ atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent PCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
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