The crystal structure of α-mercury(II) peroxide

The crystal structure of α-HgO₂ was determined using X-ray powder diffraction. The crystal is C-centered monoclinic, C2/m, a = 4.470(2), b = 5.459(2), c = 3.519(2) Å, β = 108.45°, Z = 2, D_x = 9.48 g cm^{− 3}. The variable coordinates of oxygen atoms from the peroxide dumbbell were determined as x = 0.476, z = 0.280. The final R is 0.047. The JCPDS Diffraction File No. for α-HgO₂ is 33-1489.