COL ICSD Collection Code 80052 DATE Recorded Oct 14, 1996 NAME Tetralanthanum nonatitanium oxide FORM La4 Ti9 O24 = La4 O24 Ti9 TITL The structure of La4 Ti9 O24 from synchrotron X-ray powder diffraction REF Journal of Physics and Chemistry of Solids JPCSA 56 (1995) 1297-1303 Issue 10 AUT Morris R E, Owen’J’J, Cheetham’A’K CELL a=14.146 b=35.527 c=14.579 ą=90.0 į=90.0 ē=90.0 V=7326.9 Z=16 SGR F d d d Z (70) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oF592 ANX A4B9X24 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- La 1 3.000 16f 3/8 0.01719 3/8 La 2 3.000 16f 5/8 0.99347 1/8 La 3 3.000 32h 0.2812 0.12268 0.27303 Ti 1 4.000 32h 0.0218 0.08225 0.7525 Ti 2 4.000 32h 0.1333 0.95527 0.3725 Ti 3 4.000 16f 5/8 0.08159 5/8 Ti 4 4.000 32h 0.2358 0.08139 0.7559 Ti 5 4.000 32h 0.6213 0.03715 0.8466 O 1 -2.000 32h 0.0152 -0.0815 0.8898 O 2 -2.000 16g 1/8 1/8 0.0261 O 3 -2.000 32h 0.1184 -0.0568 0.26 O 4 -2.000 32h 0.0323 -0.0078 0.3551 O 5 -2.000 32h 0.2061 -0.0052 0.3736 O 6 -2.000 32h 0.1151 0.041 0.0334 O 7 -2.000 16g 1/8 5/8 0.9976 O 8 -2.000 32h 0.1203 0.0487 0.4971 O 9 -2.000 32h 0.5144 0.1781 0.8789 O 10 -2.000 32h 0.9554 0.1296 0.7897 O 11 -2.000 32h 0.4017 0.0482 0.0014 O 12 -2.000 32h 0.5261 0.0668 0.8486 O 13 -2.000 32h 0.2573 0.0839 0.6205 WYCK h16 g2 f3 ITF La 1 U=0.0320(13) ITF La 2 U=0.0365(14) ITF La 3 U=0.0366(9) ITF Ti 1 U=0.0282(32) ITF Ti 2 U=0.0335(21) ITF Ti 3 U=0.0397(34) ITF Ti 4 U=0.0461(41) ITF Ti 5 U=0.0273(25) ITF O 1 U=0.039(12) ITF O 2 U=0.010(8) ITF O 3 U=0.036(9) ITF O 4 U=0.018(9) ITF O 5 U=0.003(6) ITF O 6 U=0.037(10) ITF O 7 U=0.038(13) ITF O 8 U=0.006(7) ITF O 9 U=0.011(7) ITF O 10 U=0.007(6) ITF O 11 U=0.058(14) ITF O 12 U=0.018(10) ITF O 13 U=0.025(8) REM SNP (synchroton radiation, powder diffraction) REM RVP RVAL 0.152