Material name Cinnabar
Composition HgS
Chemical formula weight 232.66
System Trigonal
Temperature (ºC) r.t.
a (Å), b (Å), c (Å) 4.145(2) 4.145(2) 9.496(2) @
α (deg), β (deg), γ (deg) 90 90 120 @
Unit cell volume (Å3) 141.2(2)
Calculated density (g/p3) 8.21
Z 3
Space group P3221 (No.154)
atom site g x/a y/b z/c B2)
Hg 3a 1 0.7198(5) 0 1/3 2.2
S 3b 1 0.489(3) 0 5/6 1.6
Comment B values were calculated on the basis of βij values in the reference.

Reference: P. Auvray and F. Genet, Bulletin de la Societe Francaise de Mineralogie et de Cristallographie, 96, 218 (1973).