Abstract

<h2>Acta Crystallographica Section C</h2><h3>Crystal Structure Communications</h3><h3>0108-2701</h3> <h2>research papers (inorganic compounds)</h2> Volume 39 Part 10 Pages 1323-1325 October 1983 <h2>Powder neutron diffraction study of the perovskites CaTiO 3 and CaZrO 3 </h2> H. J. A. Koopmans, G. M. H. van de Velde and P. J. Gellings Acta Cryst. (1983). C39, 1323-1325 Powder Neutron Diffraction Study of the Perovskites CaTiO3 and CaZrO3 BY H. J. A. KOOPMANS, G. M. H. VAN DE VELDE AND P. J. GELLINGS Twente University of Technology, Laboratory of Inorganic Chemistry and Materials Science, PO Box 217, 7500 AE Enschede, The Netherlands (Received 27 April 1983; accepted 28 June 1983) Abstract. CaTiO3: Mr= 136.0, orthorhombic, Pcmn, a = 5.3829 (3), b = 7.6453 (4), c= 5.4458 (3)A, V= 224.12 (4) A3, Z = 4, Dx = 4.031 g cm-3, Rprofile -- 4.52% for 54 reflections. CaZrO3:Mr=179.3, orthorhombic, Pcmn, a = 5.5912 (1), b = 8.0171 (2), c=5.7616(1)A, V= 258.26 (2) A3, Z=4, Dx= 4.611 g cm-3, Rprom,=4"01% for 55 reflections. Both compounds: 2(neutrons) = 2.5907 (3) A, T= 300 K. The structures consist of slightly deformed BO6 octahedra (B = Ti, Zr), which are rotated with respect 0108-2701/83/101323-03501.50 © 1983 International Union of Crystallography 1324 CaTiO3