Ba 6 Si 6 N 10 O 2 (CN 2 ) – 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(CN 2 ) 2 ” and barium in liquid sodium afforded Ba 6 Si 6 N 10 O 2 (CN 2 ) 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 ( P $\bar {6}$ , no. 174, a = 16.255(2), c = 5.4690(11) Å, Z = 3, R 1 = 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)