Material name Magnesite
Composition MgCO3
Chemical formula weight 84.31
System Trigonal
Temperature (ºC) 24
a (Å), b (Å), c (Å) 4.635(2) 4.635(2) 15.019(3) @
α (deg), β (deg), γ (deg) 90 90 120 @
Unit cell volume (Å3) 279.3(2)
Calculated density (g/p3) 3.01
Z 6
Space group R3c (No.167)
atom site g x/a y/b z/c B2)
Mg 6b 1 0 0 0 0.42
C 6a 1 0 0 1/4 0.46
O 18e 1 0.2778(2) 0 1/4 0.54
Comment B values were calculated on the basis of βij values in the reference.

Reference: S.A. Markgraf and R.J. Reeder, American Mineralogist, 70, 590 (1985).