Ca3InN3 crystallizes in the hexagonal P6_3/m space group. Ca(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. In(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one In(1) atom to form a mixture of distorted edge and corner-sharing NCa5In octahedra. The corner-sharing octahedral tilt angles range from 9-52°.
Ca3InN3 crystallizes in the hexagonal P6_3/m space group. Ca(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. There are a spread of Ca(1)-N(1) bond distances ranging from 2.41-2.83 Å. In(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All In(1)-N(1) bond lengths are 2.13 Å. N(1) is bonded to five equivalent Ca(1) and one In(1) atom to form a mixture of distorted edge and corner-sharing NCa5In octahedra. The corner-sharing octahedral tilt angles range from 9-52°.