Ba3CuN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN5 trigonal bipyramids. Cu(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NBa5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-47°.
Ba3CuN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing BaN5 trigonal bipyramids. There are a spread of Ba(1)-N(1) bond distances ranging from 2.73-3.05 Å. Cu(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Cu(1)-N(1) bond lengths are 1.91 Å. N(1) is bonded to five equivalent Ba(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NBa5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-47°.