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DOE OSTI · 1188402

Materials Data on Ca3GeN by Materials Project

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Abstract

Ca3GeN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Ge and two equivalent N atoms. All Ca–Ge bond lengths are 3.41 Å. Both Ca–N bond lengths are 2.41 Å. Ge is bonded to twelve equivalent Ca atoms to form GeCa12 cuboctahedra that share corners with twelve equivalent GeCa12 cuboctahedra, faces with six equivalent GeCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent GeCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECa-Ge-NCa3GeNcrystal structure

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2020-07-15. Materials Data on Ca3GeN by Materials Project. https://doi.org/10.17188/1188402

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