YTTRIUM H OX 25 DEG DISORDERED - DRAWING OF DISORDERED D5O2+ ION Brunton/CKJ 8.6962 8.6962 12.8240 0.0 0.0 0.0 .0 1 0 0 .0 0 1 0 .0 0 0 1 .5 -1 0 0 .5 0 -1 0 .0 0 0 1 .0 0 -1 0 .5 1 0 0 .5 0 0 1 .5 0 1 0 .0 -1 0 0 .5 0 0 1 .0 -1 0 0 .0 0 -1 0 .0 0 0 -1 .5 1 0 0 .5 0 1 0 .0 0 0 -1 .0 0 1 0 .5 -1 0 0 .5 0 0 -1 1 .5 0 -1 0 .0 1 0 0 .5 0 0 -1 Y 0.764000 0.500000 0.750000 0.250000 0.288655 0.0 0.003038 0.002860 0.001647 0.000033 0.0 0.0 0 0 0 C1 0.664800 1.000000 0.523941-0.034690 0.300840 0.0 0.004144 0.003890 0.001966-0.000824-0.000741 0.000481 0 0 0 C2 0.664800 1.000000 0.476395 0.043705 0.197985 0.0 0.003865 0.003750 0.001898-0.000589-0.000584 0.000403 0 0 0 O1 0.580300 1.000000 0.625744 0.029187 0.353103 0.0 0.006342 0.005512 0.002584-0.002360-0.001698 0.001141 0 0 0 O2 0.580300 1.000000 0.456673-0.158414 0.322986 0.0 0.005115 0.004701 0.002637-0.001409-0.001207 0.001188 0 0 0 O3 0.580300 1.000000 0.368359-0.019348 0.148614 0.0 0.005998 0.005633 0.002261-0.002264-0.001604 0.000997 0 0 0 O4 0.580300 1.000000 0.547804 0.161224 0.172188 0.0 0.005386 0.004416 0.002447-0.001226-0.001066 0.000984 0 0 0 O6 0.580300 0.500000 0.750000 0.250000 0.479835 0.0 0.007573 0.007264 0.001823 0.000373 0.0 0.0 0 0 0 O5 0.580300 0.924348 0.380189 0.302279 0.529007 0.0 0.007485 0.011540 0.002648 0.001072 0.000197 0.001944 0 0 0 H1 -0.374000 0.462174 0.250000 0.250000 0.525067 0.0 0.020121 0.017244 0.002941 0.005730 0.0 0.0 0 0 0 H2 -0.374000 0.924348 0.447960 0.243446 0.575561 0.0 0.009856 0.012599 0.004365 0.000048-0.000198 0.002329 0 0 0 H3 -0.374000 0.924348 0.432534 0.324883 0.461993 0.0 0.010834 0.011875 0.003733 0.000942 0.000677 0.002067 0 0 0 H4 -0.374000 1.000000 0.748062 0.161928 0.521600 0.0 0.024424 0.011866 0.004535-0.001252 0.001118 0.002265 0 0 0 O5* 0.580300 0.075652 0.387728 0.223296 0.503774 0.0 0.008028 0.010996 0.002648-0.001749-0.000562 0.001871 0 0 0 H1* -0.374000 0.037826 0.250000 0.250000 0.507714 0.0 0.022147 0.015218 0.002941-0.004785-0.000000 0.000000 0 0 0 H2* -0.374000 0.075652 0.443145 0.293889 0.457220 0.0 0.009972 0.012483 0.004365-0.000554-0.000246 0.002324 0 0 0 H3* -0.374000 0.075652 0.443405 0.211005 0.570787 0.0 0.011221 0.011487 0.003733-0.001068-0.001056 0.001902 0 0 0 ORGIN .25 .25 .50 1 101 1 17 1 17 3.6 102 1 17 1 17 1.6 201 301 5.0 8.5 15 .50 410 501 1055501 155501 165501 155501 156501 1 502 3 -45 403 18 18 1 17 3.6 3.6 3.9 406 1 17 1 17 1.6 604 503 2 2.7 1101 2 1001 2 1 12 1 13 3 0.9 1.6 .05 2 14 14 14 17 2 0.8 1.6 .05 2 1 1 1 13 1 2.3 2.5 .01 2 5 9 10 12 1 1.2 1.8 .03 2 5 9 16 17 1 1.2 1.9 .03 7 7 13 13 1 2.2 2.4 .03 1 705 4 0 1 0 1 9 1 705 4 0 3 0 10 13 1 704 14 17 2 812 2 1 12 1 13 3 0.9 1.6 .05 2 14 14 14 17 2 0.8 1.6 .05 2 1 1 1 13 1 2.3 2.5 .01 2 5 9 10 12 1 1.2 1.8 .03 2 5 9 16 17 1 1.2 1.9 .03 7 7 13 13 1 2.2 2.4 .03 901 1255502 .08 -.15 -.20 901 1155502 .08 -.25 .00 901 955502 .08 .00 -.22 901 1055501 .08 .00 -.30 901 955501 .08 .00 .22 901 1155501 .08 .25 .00 901 1255501 .08 .15 .20 901 265605 .08 .17 -.05 901 465605 .08 -.17 .05 901 565605 .08 .17 .05 901 365605 .08 .00 -.17 901 665605 .08 .00 .20 901 765605 .08 .00 .20 901 655501 .08 -.17 .05 901 755501 .08 .17 .05 901 155501 .08 -.10 .15 901 164503 .08 .05 -.15 901 855501 .08 .22 -.05 901 1355501 .08 .00 -.30 901 1365502 .08 -.10 .30 901 655508 .08 -.10 -.15 901 755508 .08 -.15 -.15 901 456504 .08 .15 -.15 901 556504 .08 .15 .15 901 655502 .08 .17 -.10 901 445606 .08 .17 -.10 901 755502 .08 -.15 -.10 901 545606 .08 -.15 -.05 901 454503 .08 -.15 .15 901 554503 .08 -.15 -.15 901 655507 .08 .10 .15 901 755507 .08 .15 -.15 3 902 1055501 1.5 .10 HYDROGEN YTTRIUM OXALATE TRIHYDRATE 1102 202 4.5 503 2 -2.7 1103 202 -1