Material name Aragonite
Composition CaCO3
Chemical formula weight 100.09
System Orthorhombic
Temperature (ºC) r.t.
a (Å), b (Å), c (Å) 4.9616(2) 7.9705(6) 5.7394(4) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 227.0
Calculated density (g/p3) 2.93
Z 4
Space group Pmcn (No.62)
atom site g x/a y/b z/c B2)
Ca 4c 1 1/4 0.4151(1) 0.2403(1)  -
C 4c 1 1/4 0.7627(5) 0.0850(7)  -
O1 4c 1 1/4 0.9231(4) 0.0952(6)  -
O2 8d 1 0.4729(4) 0.6801(3) 0.0870(4)  -

Reference: A.D. Negro and L. Ungaretti, American Mineralogist, 56, 768 (1971).