%0 Conference Paper %1 WOS:000074945400113 %A Guevara, JA %A Cuffini, SL %A Mascarenhas, YP %A Carbonio, RE %A Alonso, JA %A Fernandez, MT %A de la Presa, P %A Ayala, A %A Garcia, AL %B EPDIC 5, PTS 1 AND 2 %C LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND %D 1998 %E Mittemeijer, R Delhez and EJ %I TRANS TECH PUBLICATIONS LTD %K X-ray diffraction; neutron octahedra powder tilting} {perovskites; %P 720-725 %R 10.4028/www.scientific.net/MSF.278-281.720 %T The structure of orthorhombic hafniates by neutron powder diffraction and perturbed-angular-correlation spectroscopy (PAC) %V 278-2 %X AHfO(3) (A = Ca, Sr and Ba) belongs to perovskite family with general formula A(2+)B(4+)O(3). The crystal structure of CaHfO(3) (CH), SrHfO(3) (SH) and BaHfO(3) (BH) at room temperature (RT) is reported, combining the results of the Rietveld method refinements using X-ray and neutron powder diffraction data and PAC spectroscopy. The structures were refined by the Rietveld Method using DBWS9411 and GSAS programs, The refinement of SH using neutron and X-ray powder pattern indicates an orthorhombic Pnma symmetry at room temperature. The hyperfine parameters of PAC spectroscopy indicate that the structure has lower-than-cubic symmetry at RT, The structures of CH and BH were refined with the Pnma and Pm (3) over bar m space group respectively. The three compounds have near regular oxygen octahedra that are characteristic of perovskites of Glazer types a(+)a(-)a(-) and a(0)a(0)a(0), for which the distortion is better related to the tilting of the octahedra.

@inproceedings{WOS:000074945400113, abstract = {AHfO(3) (A = Ca, Sr and Ba) belongs to perovskite family with general formula A(2+)B(4+)O(3). The crystal structure of CaHfO(3) (CH), SrHfO(3) (SH) and BaHfO(3) (BH) at room temperature (RT) is reported, combining the results of the Rietveld method refinements using X-ray and neutron powder diffraction data and PAC spectroscopy. The structures were refined by the Rietveld Method using DBWS9411 and GSAS programs, The refinement of SH using neutron and X-ray powder pattern indicates an orthorhombic Pnma symmetry at room temperature. The hyperfine parameters of PAC spectroscopy indicate that the structure has lower-than-cubic symmetry at RT, The structures of CH and BH were refined with the Pnma and Pm (3) over bar m space group respectively. The three compounds have near regular oxygen octahedra that are characteristic of perovskites of Glazer types a(+)a(-)a(-) and a(0)a(0)a(0), for which the distortion is better related to the tilting of the octahedra.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND}, author = {Guevara, JA and Cuffini, SL and Mascarenhas, YP and Carbonio, RE and Alonso, JA and Fernandez, MT and de la Presa, P and Ayala, A and Garcia, AL}, biburl = {https://www.bibsonomy.org/bibtex/2f5e5175e3edd0170786943aca8abf985/ppgfis_ufc_br}, booktitle = {EPDIC 5, PTS 1 AND 2}, doi = {10.4028/www.scientific.net/MSF.278-281.720}, editor = {Mittemeijer, R {Delhez and EJ}}, interhash = {cfa76d0cab3f98872d78cd87135a1c35}, intrahash = {f5e5175e3edd0170786943aca8abf985}, issn = {0255-5476}, keywords = {X-ray diffraction; neutron octahedra powder tilting} {perovskites;}, note = {5th European Powder Diffraction Conference (EPDIC 5), PARMA, ITALY, MAY 25-28, 1997}, organization = {Phillips Anal}, pages = {720-725}, publisher = {TRANS TECH PUBLICATIONS LTD}, pubstate = {published}, series = {Materials Science Forum}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {The structure of orthorhombic hafniates by neutron powder diffraction and perturbed-angular-correlation spectroscopy (PAC)}, tppubtype = {inproceedings}, volume = {278-2}, year = 1998 }