Ba6Si6N10O2(CN2) – A Nitridosilicate with a NPO‐Zeolite Structure Type Containing Carbodiimide Ions

A new precursor approach leading to NPO‐zeolite analogous nitridosilicates with cavities containing carbodiimide ions is presented. The reaction of amorphous “Si(CN2)2” and barium in liquid sodium afforded Ba6Si6N10O2(CN2) as yellow crystals. The structure is a rare example of the NPO‐zeolite framework type and the first nitridosilicate incorporating carbodiimide ions. The partially ordered integration of carbodiimide moieties in the channels leads to the formation of a superstructure (P6̄ , no. 174, a = 16.255(2), c = 5.4690(11) Å, Z = 3, R1 = 0.0299, 2139 data, 100 parameters) and merohedral twinning. A comprehensive structure solution is presented, taking all possible ordering variants and twin laws into account.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)