Material name Malachite
Composition Cu2(OH)2CO3
Chemical formula weight 221.12
System Monoclinic
Temperature (ºC) 25
a (Å), b (Å), c (Å) 9.502 11.974 3.240 @
α (deg), β (deg), γ (deg) 90 98.75 90 @
Unit cell volume (Å3) 364.3
Calculated density (g/p3) 4.03
Z 4
Space group P21/a (No.14)
atom site g x/a y/b z/c B2)
Cu1 4e 1 0.4981(2) 0.2879(1) 0.8931(5) 1.08(4)
Cu2 4e 1 0.2323(2) 0.3932(1) 0.3883(5) 1.04(4)
O(H1) 4e 1 0.0940(8) 0.3517(7) 0.916(3) 0.4(1)
O(H2) 4e 1 0.3765(8) 0.4161(7) 0.865(3) 0.5(1)
C 4e 1 0.267(1) 0.140(1) 0.471(4) 0.5(2)
O1 4e 1 0.1312(9) 0.1363(7) 0.338(3) 0.6(1)
O2 4e 1 0.3327(9) 0.2351(7) 0.445(3) 0.5(1)
O3 4e 1 0.3341(9) 0.0556(7) 0.629(3) 0.6(1)

Reference: P. SÜsse, Acta Crystallographica, 22, 146 (1967).