COL ICSD Collection Code 60956 DATE Recorded Feb 22, 1988 NAME Barium dineodymium(III) titanate(IV) FORM Ba Nd2 Ti3 O10 = Ba Nd2 O10 Ti3 TITL Crystal structure determination of BaNd2Ti3O10 using high- resolution electron microscopy REF Journal of Solid State Chemistry JSSCB 60 (1985) 347-357 AUT Olsen A, RothÿRÿS CELL a=7.731 b=7.666 c=14.210 à=90.0 á=97.8 ç=90.0 V=834.3 Z=4 SGR P 1 21/m 1 (11) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP64 ANX AB2C3X10 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ba 1 2.000 2e 0.131 1/4 0.524 Ba 2 2.000 2e 0.631 1/4 0.524 Nd 1 3.000 2e 0.784 1/4 0.134 Nd 2 3.000 2e 0.284 1/4 0.134 Nd 3 3.000 2e 0.717 1/4 0.866 Nd 4 3.000 2e 0.217 1/4 0.866 Ti 1 4.000 2a 0. 0. 0. Ti 2 4.000 2b 1/2 0. 0. Ti 3 4.000 4f 0.068 0. 0.27 Ti 4 4.000 4f 0.568 0. 0.27 O 1 -2.000 2e 0. 1/4 0. O 2 -2.000 2e 1/2 1/4 0. O 3 -2.000 2e 0.933 1/4 0.73 O 4 -2.000 2e 0.433 1/4 0.73 O 5 -2.000 2e 0.568 1/4 0.27 O 6 -2.000 2e 0.068 1/4 0.27 O 7 -2.000 4f 3/4 0. 0. O 8 -2.000 4f 0.034 0. 0.134 O 9 -2.000 4f 0.534 0. 0.134 O 10 -2.000 4f 0.101 0. 0.404 O 11 -2.000 4f 0.601 0. 0.404 O 12 -2.000 4f 0.818 0. 0.27 O 13 -2.000 4f 0.318 0. 0.27 WYCK f9 e12 b a REM XDP (X-ray diffraction from a powder) REM EDS (electron diffraction from a single crystal) TEST At least one temperature factor missing in the paper. (Code 53) TEST No R value given in the paper. (Code 51)