Materials Data on Ca3MoN3 by Materials Project
Ca3MoN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to five equivalent N3- atoms. There are a spread of Ca–N bond distances ranging from 2.50–3.07 Å. Mo3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Mo–N bond lengths are 1.88 Å. N3- is bonded in a 5-coordinate geometry to five equivalent Ca2+ and one Mo3+ atom.
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