HgCN2 was prepared by double conversion of HgCl2 with sodium cyanamide in a
queous solution. Its crystal structure has been determined using X-ray powd
er data and refined by combined profile fits using X-ray and neutron diffra
ction data (Pbca, Z = 8, a = 10.4851(1), b = 6.5138(1), c = 6.8929(1) Angst
rom; R-p (X-ray) = 6.15%; R-p (neutrons) = 2.33; 2.43%). The cyanamide-anio
n is bent (172.4(7)degrees), which has been confirmed by vibrational spectr
oscopy. Mercury and carbon form zigzag chains. Not including nitrogen, the
structure is related to the MnP-structure type.