Materials Data on Ca3AuN by Materials Project
Ca3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted linear geometry to four equivalent Au and two equivalent N atoms. All Ca–Au bond lengths are 3.43 Å. Both Ca–N bond lengths are 2.42 Å. Au is bonded to twelve equivalent Ca atoms to form AuCa12 cuboctahedra that share corners with twelve equivalent AuCa12 cuboctahedra, faces with six equivalent AuCa12 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 AuCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
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