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O11 Ti6 |
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le Page Y, Strobel P |
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Journal of Solid State Chemistry 47 (1983) 6-15 |
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Structural Chemistry of Magneli Phases TinO2n-1 (4<=n<=9). |
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III.Valence Ordering of Titanium in Ti6 O11 at 130K |
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_cod_database_code 1008201 |
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_database_code_amcsd 0016137 |
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7.517 11.986 13.397 98.29 105.52 107.79 P-1 |
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atom x y z |
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Ti1 .13727 .02810 .94161 |
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Ti2 .42566 .08682 .83037 |
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Ti3 .29914 .87112 .30832 |
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Ti4 .36417 .80428 .89146 |
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Ti5 .07259 .74813 .00701 |
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Ti6 .19372 .30203 .86303 |
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Ti7 .13500 .35851 .27662 |
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Ti8 .43417 .41556 .16243 |
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Ti9 .30186 .52800 .97175 |
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Ti10 .36228 .47360 .55788 |
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Ti11 .07015 .41260 .67031 |
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Ti12 .19846 .62583 .19053 |
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Ti13 .14076 .69396 .61097 |
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Ti14 .43219 .75229 .49713 |
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Ti15 .30548 .20666 .64345 |
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Ti16 .35060 .13546 .22563 |
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Ti17 .06690 .07884 .34509 |
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Ti18 .19441 .96193 .53274 |
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O1 .0838 .7134 .8646 |
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O2 .1993 .3650 .0153 |
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O3 .3610 .1046 .0807 |
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O4 .3583 .8376 .0391 |
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O5 .0971 .7748 .1665 |
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O6 .0175 .8912 .0011 |
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O7 .2680 .1650 .8836 |
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O8 .4557 .7668 .2349 |
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O9 .3033 .9540 .8769 |
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O10 .4250 .9872 .2459 |
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O11 .1716 .9427 .3757 |
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O12 .0776 .3784 .5304 |
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O13 .2021 .6989 .3419 |
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O14 .3574 .4369 .4100 |
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O15 .3567 .5063 .7085 |
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O16 .0872 .4412 .8302 |
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O17 .0163 .5574 .6675 |
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O18 .2648 .4970 .2137 |
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O19 .4604 .4410 .9018 |
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O20 .3015 .2858 .2099 |
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O21 .4271 .6580 .9113 |
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O22 .1691 .6107 .0455 |
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O23 .0800 .0459 .1943 |
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O24 .2143 .0416 .6825 |
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O25 .3622 .7732 .7466 |
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O26 .3619 .1737 .3746 |
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O27 .1047 .1092 .5044 |
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O28 .0164 .2256 .3331 |
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O29 .2264 .8276 .5463 |
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O30 .4664 .1084 .5728 |
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O31 .3008 .6189 .5406 |
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O32 .4257 .3229 .5792 |
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O33 .1711 .2777 .7087 |
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