COL ICSD Collection Code 79684 DATE Recorded Oct 14, 1996; updated Jan 19, 1999 NAME Iron ditantalum hexaoxide MINR Tapiolite MINR Ferrotapiolite FORM Fe Ta2 O6 = Fe O6 Ta2 FORM Fe (Ta1.8 Nb0.2) O6 TITL Cation ordering waves in trirutiles. When X-ray crystallography fails? REF Acta Crystallographica A (39,1983-) ACACE 51 (1995) 514-519 REF Arkiv foer Kemi ARKEA 28 (1968) 375-387 AUT Hansen S, Landa-Canovas˙A, Stahl˙K, Nilsson˙J CELL a=4.752 b=4.752 c=9.254 ŕ=90.0 á=90.0 ç=90.0 V=208.9 D=7.82 Z=2 SGR P 42/m n m (136) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP18 ANX AB2X6 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Fe 1 2.000 2a 0. 0. 0. 0.512(8) Ta 1 5.000 2a 0. 0. 0. 0.488 Fe 2 2.000 4e 0. 0. 0.3327 0.244 Ta 2 5.000 4e 0. 0. 0.3327 0.756 O 1 -2.000 4f 0.312 0.312 0. O 2 -2.000 8j 0.308 0.308 0.33 WYCK j f e a ITF Fe 1 B=0.93(9) ITF Ta 1 B=0.93(9) ITF Fe 2 B=1.09(6) ITF Ta 2 B=1.09(6) ITF O 1 B=1.2(4) ITF O 2 B=1.6(3) REM REF (refinement of earlier measured intensity data) REM M PDF 23-1124, mean M-O: 2.05, 2.02, model I (big-small-small) REM M For random Fe/Ta distribution R=0.136 REM M Rutile structure type RVAL 0.076 TEST Calculated density unusual but tolerable. (Code 23)