*.cif files for RMnO3 (R= Sm,Eu,Gd,Dy,Ho,Yb)
Dear Rietveld community, I am looking for the latest *.cif files for RMnO3 (R = Sm,Eu,Gd,Dy,Ho,Yb) compounds in orthorhombic and hexagonal phases .Can any body suggest where I can find them. I really appreciate the help. Thank you Best Shishir Ray Graduate student University of Wisconsin Milwaukee
Re: *.cif files for RMnO3 (R= Sm,Eu,Gd,Dy,Ho,Yb)
Dear Shishir Ray, in the current release of Pearson's Crystal Data (http://www.crystalimpact.com/pcd ), there are 29 entries that match your criteria, describing seven different orthorhombic phases. 10 entries originate from papers that were published in 2005 or later. Best regards Holger Putz Am 11.03.2010 um 21:09 schrieb sisir ray: Dear Rietveld community, I am looking for the latest *.cif files for RMnO3 (R = Sm,Eu,Gd,Dy,Ho,Yb) compounds in orthorhombic and hexagonal phases .Can any body suggest where I can find them. I really appreciate the help. Thank you Best Shishir Ray Graduate student University of Wisconsin Milwaukee *** Dr. Holger Putz Crystal Impact Dr. K. Brandenburg Dr. H. Putz GbR Rathausgasse 30 53111 Bonn Germany Tel . : +49-228-9813643 Fax : +49-228-9813644 E-mail: p...@crystalimpact.com Web : http://www.crystalimpact.com ***
Topas prm keyword
Hi, My mail is intended to Topas users, especially to Dr. Alan Coelho I am trying to determine the carbonate / hydroxide ratio in some compounds. This is a part of 'str' block In the input file (*.inp) __ Str Prm oh 0.5 Site OH num_posns 4 x 0 y 0 z 0.315309 occ O =oh; : 0.5 min =0; max =0 5; beq 1 Site C num_posns 2 x 0 y 0 z 0 occ C =1 - 0.5 oh; : 1 min =0; max =0.5 beq 1 Site Oc num_posns 12 x 0.040114 y 0.953411 z 0.629971 occ O =(1 - 0.5 oh) / 3; : 1 min =0; max =0.25; beq 1 __ Topas 4.2 run failed... Error: prm command in unrecognised !!! Any suggestion ? P.S. This keyword is unrecognised too in all tutorials inp file examples !!! Thanks for help Habib Prof. Habib Boughzala. Laboratoire de Matériaux et Cristallochimie. Association Tunisienne de Cristallographie I.P.E.I.N. Mrezga, 8000. Nabeul. Tunisie.faint_grain.jpgIMSTP12.gif
