Ba3MoN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. Mo(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 Mo(1) atom to form a mixture of distorted corner and edge-sharing NBa5Mo octahedra. The corner-sharing octahedral tilt angles range from 23-41°.
Ba3MoN3 crystallizes in the hexagonal P6_3/m space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. There are a spread of Ba(1)-N(1) bond distances ranging from 2.88-3.18 Å. Mo(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Mo(1)-N(1) bond lengths are 1.86 Å. N(1) is bonded to five equivalent Ba(1) and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NBa5Mo octahedra. The corner-sharing octahedral tilt angles range from 23-41°.