Material name Perovskite
Composition CaTiO3
Chemical formula weight 135.94
System Orthorhombic
Temperature (ºC) r.t.
a (Å), b (Å), c (Å) 5.4043(8) 5.4224(7) 7.6510(12) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 224.2
Calculated density (g/p3) 4.03
Z 4
Space group Pbnm (No.62)
atom site g x/a y/b z/c B2)
Ca 4c 1 0.9916(6) 0.0123(7) 1/4 0.62(7)
Ti 4b 1 1/2 0 0 0.45(5)
O1 4c 1 0.0586(10) 0.4687(9) 1/4 1.2(2)
O2 8d 1 0.713(1) 0.288(1) 0.0371(6) 1.3(3)

Reference: T. Yamanaka, N. Hirai, and Y. Komatsu, American Mineralogist, 87, 1183 (2002).