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Ba6Fe45Ti17O106 |
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Vanderah T A, Wong-Ng W, Toby B H, Browning V M, |
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Shull R D, Geyer R G, Roth R S |
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Journal of Solid State Chemistry 143 (1999) 182-197 |
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Characterization of ternary compounds in the BaO:Fe2O3:TiO2 |
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system: Ba6Fe45Ti17O106 and BaFe11Ti3O23 |
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Note: data from neutron and synchrotron radiation on powder |
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_database_code_amcsd 0013967 |
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19.4119 20.2777 10.0831 90 105.2734 90 C2/m |
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atom x y z occ Biso |
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Ba1 .5 .2149 .0 .4 |
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Ba2 .2388 .0 .1254 .4 |
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Ba3 .5 .3592 -.5 .4 |
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FeM1 .4304 .3460 -.2107 .58 .39 |
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TiM1 .4304 .3460 -.2107 .42 .39 |
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FeM2 .4346 .0785 -.1981 .83 .39 |
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TiM2 .4346 .0785 -.1981 .17 .39 |
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FeM3 .5686 .5 -.3250 .38 .39 |
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TiM3 .5686 .5 -.3250 .62 .39 |
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Fe4 .2785 .0 -.2007 .39 |
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FeM5 .3220 .1374 .0059 .58 .39 |
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TiM5 .3220 .1374 .0059 .42 .39 |
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FeM6 .3228 .2823 -.5131 .84 .39 |
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TiM6 .3228 .2823 -.5131 .16 .39 |
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FeM7 .4293 .0 .0514 .77 .39 |
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TiM7 .4293 .0 .0514 .23 .39 |
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Fe8 .2804 .1473 .3109 .39 |
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FeM9 .3179 .2057 -.2631 .90 .39 |
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TiM9 .3179 .2057 -.2631 .10 .39 |
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FeM10 .3174 .2888 -.0190 .94 .39 |
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TiM10 .3174 .2888 -.0190 .06 .39 |
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FeM11 .5656 .0710 -.3061 .53 .39 |
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TiM11 .5656 .0710 -.3061 .47 .39 |
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FeM12 .3123 .4266 -.4957 .80 .39 |
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TiM12 .3123 .4266 -.4957 .20 .39 |
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FeM13 .4309 .1485 -.4455 .55 .39 |
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TiM13 .4309 .1485 -.4455 .45 .39 |
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FeM14 .4295 .5 -.2217 .40 .39 |
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TiM14 .4295 .5 -.2217 .60 .39 |
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FeM15 .5692 .4224 -.0563 .60 .39 |
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TiM15 .5692 .4224 -.0563 .40 .39 |
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FeM16 .3201 .3659 .2358 .77 .39 |
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TiM16 .3201 .3659 .2358 .23 .39 |
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FeM17 .3313 .0 -.4995 .40 .39 |
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TiM17 .3313 .0 -.4995 .60 .39 |
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FeM18 .4356 .2272 .2854 .53 .39 |
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TiM18 .4356 .2272 .2854 .47 .39 |
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O1 .378 .1453 -.139 .53 |
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O2 .5 .5 .0 .53 |
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O3 .613 .5 -.113 .53 |
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O4 .380 .0 -.148 .53 |
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O5 .255 .0717 -.614 .53 |
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O6 .373 .2833 -.152 .53 |
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O7 .3795 .2152 .104 .53 |
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O8 .502 .288 .246 .53 |
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O9 .628 .3569 -.101 .53 |
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O10 .371 .2098 -.396 .53 |
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O11 .494 .1453 -.261 .53 |
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O12 .505 .0 -.242 .53 |
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O13 .5 .065 .0 .53 |
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O14 .381 .074 -.395 .53 |
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O15 .241 .0 -.403 .53 |
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O16 .377 .0 .349 .53 |
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O17 .257 .1441 .124 .53 |
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O18 .249 .2235 -.617 .53 |
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O19 .371 .3554 -.400 .53 |
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O20 .376 .0699 .105 .53 |
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O21 .502 .430 -.231 .53 |
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O22 .367 .5 -.392 .53 |
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O23 .237 .1473 -.362 .53 |
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O24 .382 .1517 .355 .53 |
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O25 .374 .2909 .341 .53 |
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O26 .258 .2089 -.111 .53 |
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O27 .5 .079 -.5 .53 |
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O28 .387 .4284 -.138 .53 |
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O29 .5 .217 .5 .53 |
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O30 .5 .364 .0 .53 |
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O31 .5 .5 -.5 .53 |
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O32 .252 .0749 -.120 .53 |
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O33 .126 .0707 -.358 .53 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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BaFe11Ti3O23 |
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Vanderah T A, Wong-Ng W, Toby B H, Browning V M, |
|
Shull R D, Geyer R G, Roth R S |
| |
Journal of Solid State Chemistry 143 (1999) 182-197 |
|
Characterization of ternary compounds in the BaO:Fe2O3:TiO2 |
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system: Ba6Fe45Ti17O106 and BaFe11Ti3O23 |
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Note: data from single-crystal X-ray diffraction |
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_database_code_amcsd 0013968 |
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19.561 8.6614 10.120 90 105.62 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 .32589 .25 .0093 .0046 .0150 .0093 .0000 .0037 .0000 |
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FeM1 .06483 .0064 .44697 .65 .0062 .0063 .0060 .0074 -.0008 .0034 -.0005 |
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TiM1 .06483 .0064 .44697 .35 .0062 .0063 .0060 .0074 -.0008 .0034 -.0005 |
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FeM2 -.06677 .6368 .03491 .72 .0056 .0051 .0060 .0068 .0007 .0034 -.0003 |
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TiM2 -.06677 .6368 .03491 .28 .0056 .0051 .0060 .0068 .0007 .0034 -.0003 |
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FeM3 -.06724 .8182 .30542 .63 .0063 .0046 .0075 .0073 -.0006 .0025 -.0004 |
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TiM3 -.06724 .8182 .30542 .37 .0063 .0046 .0075 .0073 -.0006 .0025 -.0004 |
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FeM4 .31749 .0009 .22908 .91 .0051 .0044 .0053 .0062 .0002 .0022 -.0008 |
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TiM4 .31749 .0009 .22908 .09 .0051 .0044 .0053 .0062 .0002 .0022 -.0008 |
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FeM5 .17535 .1533 .24214 .77 .0049 .0030 .0048 .0070 .0000 .0014 .0003 |
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TiM5 .17535 .1533 .24214 .23 .0049 .0030 .0048 .0070 .0000 .0014 .0003 |
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FeM6 .18065 .3123 .51944 .84 .0051 .0027 .0083 .0048 -.0003 .0020 -.0010 |
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TiM6 .18065 .3123 .51944 .16 .0051 .0027 .0083 .0048 -.0003 .0020 -.0010 |
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Fe7 .28509 .3493 .0746 .0124 .0105 .0140 .0149 .0039 .0071 .0029 |
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O1 .2370 .3234 .3768 .0051 |
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O2 .1254 .1586 .3944 .0067 |
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O3 .2453 .1553 .1242 .0059 |
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O4 -.1307 .6705 .3424 .0062 |
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O5 -.1257 .4902 .0961 .0058 |
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O6 -.1160 .8234 .1043 .0046 |
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O7 .2540 .0204 .3588 .0062 |
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O8 .1242 .3349 .1516 .0053 |
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O9 .0010 .1666 .5099 .0073 |
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O10 0 .6693 .25 .008 |
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O11 0 -.0176 .25 .007 |
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O12 0 .5 .5 .008 |
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O13 .1191 .0071 .649 .0068 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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