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Tadzhikite-(Ce) |
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Hawthorne F C, Cooper M A, Taylor M C |
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The Canadian Mineralogist 36 (1998) 817-822 |
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Refinement of the crystal structure of tadzhikite |
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Locality: Dara-i-Pioz, Tadzhikistan |
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_database_code_amcsd 0005547 |
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19.058 4.729 10.321 90 111.39 90 P2/a |
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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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Si1 .1025 .4847 .6480 .020 .019 .028 .013 0 .006 0 |
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Si2 .3870 .4963 .8365 .020 .019 .027 .012 .001 .006 0 |
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Ti 0 0 0 .56 .022 .019 .030 .014 .001 .002 -.003 |
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Fe 0 0 0 .30 .022 .019 .030 .014 .001 .002 -.003 |
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Al 0 0 0 .07 .022 .019 .030 .014 .001 .002 -.003 |
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Mn 0 0 0 .04 .022 .019 .030 .014 .001 .002 -.003 |
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B1 .1724 .5238 .4515 .017 .015 .027 .009 .002 .004 .001 |
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B2 .2465 .4582 .8650 .015 .017 .022 .008 .001 .005 .004 |
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Ca1 .2521 .0011 .3402 .021 .022 .029 .011 0 .007 .001 |
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Ca2 .3443 .9615 .0703 .43 .020 .017 .030 .013 0 .007 -.001 |
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Y2 .3443 .9615 .0703 .45 .020 .017 .030 .013 0 .007 -.001 |
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Na2 .3443 .9615 .0703 .12 .020 .017 .030 .013 0 .007 -.001 |
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Ce1 .0385 .0147 .3593 .18 .011 |
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Nd1 .0385 .0147 .3593 .09 .011 |
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La1 .0385 .0147 .3593 .04 .011 |
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Dy1 .0385 .0147 .3593 .03 .011 |
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Pr1 .0385 .0147 .3593 .02 .011 |
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Gd1 .0385 .0147 .3593 .02 .011 |
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Sm1 .0385 .0147 .3593 .02 .011 |
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Er1 .0385 .0147 .3593 .01 .011 |
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Ce2 -.0475 .0809 .6369 .03 .011 |
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Nd2 -.0475 .0809 .6369 .02 .011 |
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La2 -.0475 .0809 .6369 .01 .011 |
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Ce3 .0371 .1225 .3585 .03 .011 |
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Nd3 .0371 .1225 .3585 .01 .011 |
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La3 .0371 .1225 .3585 .01 .011 |
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Ce4 .0474 .0230 .3628 .17 .011 |
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Nd4 .0474 .0230 .3628 .08 .011 |
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La4 .0474 .0230 .3628 .04 .011 |
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Dy4 .0474 .0230 .3628 .03 .011 |
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Pr4 .0474 .0230 .3628 .02 .011 |
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Gd4 .0474 .0230 .3628 .02 .011 |
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Sm4 .0474 .0230 .3628 .02 .011 |
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Er4 .0474 .0230 .3628 .01 .011 |
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O1 .4567 .2525 .4341 .20 .026 .030 .032 .016 .005 .009 .002 |
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OH1 .4567 .2525 .4341 .80 .026 .030 .032 .016 .005 .009 .002 |
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O2 .3226 .3155 .2430 .027 .024 .034 .020 0 .006 .002 |
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O3 .0719 .7002 .7329 .35 .030 .029 .036 .020 .010 .005 -.001 |
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OH3 .0719 .7002 .7329 .65 .030 .029 .036 .020 .010 .005 -.001 |
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O4 .1329 .6660 .5416 .80 .026 .029 .032 .021 -.001 .013 .002 |
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OH4 .1329 .6660 .5416 .20 .026 .029 .032 .021 -.001 .013 .002 |
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O5 .4619 .1964 .1308 .031 .032 .043 .019 .007 .011 .003 |
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O6 .2537 .7545 .1398 .027 .029 .036 .019 .002 .011 .002 |
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O7 .1673 .2288 .4473 .35 .026 .022 .037 .017 -.004 .006 0 |
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OH7 .1673 .2288 .4473 .65 .026 .022 .037 .017 -.004 .006 0 |
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O8 .1330 .6713 .3096 .65 .030 .036 .035 .014 .002 .004 .002 |
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OH8 .1330 .6713 .3096 .35 .030 .036 .035 .014 .002 .004 .002 |
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O9 .3125 .3286 .8392 .029 .025 .037 .028 -.004 .013 -.005 |
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O10 .0864 .7294 .0431 .027 .022 .038 .020 .002 .007 .003 |
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O11 .0538 .2578 .1584 .65 .028 .028 .038 .018 -.010 .008 -.001 |
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OH11 .0538 .2578 .1584 .35 .028 .028 .038 .018 -.010 .008 -.001 |
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O12 .25 .3315 0 .029 .037 .038 .010 0 .008 0 |
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O13 .25 .6494 .5 .027 .025 .032 .024 0 .010 0 |
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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 (permalink) |
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Tadzhikite-(Ce) |
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Chernitsova N M, Pudovkina Z V, Pyatenko Y A |
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Soviet Physics Doklady 27 (1982) 367-368 |
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About the crystal structure of tadzhikite {(Ca,Tr)4(Y,Tr)2(Ti,Fe,Al)(O,OH)2 |
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[Si4B4O22]} |
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_database_code_amcsd 0015611 |
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18.946 4.714 10.302 90 111.58 90 P2/a |
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atom x y z occ Biso |
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Ca1 .2518 0 .3399 .99 |
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Ca2 .3450 .9616 .0708 .99 |
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Ce .0421 .0194 .3595 1.02 |
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Ti 0 0 0 .40 1.14 |
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Fe 0 0 0 .34 1.14 |
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Al 0 0 0 .26 1.14 |
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B1 .171 .523 .448 .32 |
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B2 .244 .460 .861 1.12 |
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Si1 .1015 .488 .647 .84 |
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Si2 .3871 .496 .837 .84 |
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O1 .460 .244 .439 1.10 |
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O2 .323 .319 .243 .90 |
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O3 .070 .706 .730 1.30 |
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O4 .131 .667 .538 1.00 |
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O5 .462 .192 .132 1.00 |
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O6 .255 .759 .140 1.20 |
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O7 .166 .229 .447 .50 |
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O8 .132 .676 .310 1.00 |
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O9 .312 .330 .838 1.40 |
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O10 .086 .733 .042 1.00 |
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O11 .055 .255 .159 1.60 |
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O12 .25 .331 0 .30 |
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O13 .25 .652 .5 .70 |
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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 (permalink) |
| |
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