Ammonothermal Synthesis, Optical Properties, and DFT Calculations of Mg2 PN3 and Zn2 PN3.The phosphorus nitrides, Mg2 PN3 and Zn2 PN3 , are wide band gap semiconductor materials with potential for application in (opto)electronics or photovoltaics.  For the first time, both compounds were synthesized ammonothermally in custom-built high-temperature, high-pressure autoclaves starting from P3 N5 and the corresponding metals (Mg or Zn).  To our knowledge, this is the first single-crystal X-ray study of ternary nitrides synthesized by the ammonothermal method.  Furthermore, a dissolution experiment was conducted to obtain insights into the crystallization behavior of Mg2 PN3 .
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