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Batisite |
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Nikitin A V, Belov N V |
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Doklady Akademii Nauk SSSR 146 (1962) 1401-1403 |
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Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12] |
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_database_code_amcsd 0012440 |
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10.40 13.85 8.10 90 90 90 *Ima2 |
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.25 .25 0 |
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atom x y z |
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Na1 .25 .25 .484 |
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Na2 .5 .072 .528 |
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Ba 0 .002 0 |
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Ti1 0 .220 .2831 |
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Ti2 0 .220 .784 |
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Si1 .278 .105 .195 |
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Si2 .278 .104 .798 |
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O1 .367 .182 .727 |
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O2 .128 .115 .740 |
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O3 .334 .001 .793 |
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O4 .128 .103 .293 |
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O5 .367 .190 .312 |
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O6 .292 .092 .032 |
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O7 0 .200 .523 |
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O8 0 .215 .033 |
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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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Batisite |
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Schmahl W W, Tillmanns E |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 107-118 |
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Isomorphic substitutions, straight Si-O-Si geometry, and disorder of tetrahedral |
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tilting in batisite, (Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)Si4O14 |
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Locality: tertiary nephelinite-leucite volcanic rocks, Westeifel, W. Germany |
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_database_code_amcsd 0014812 |
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10.499 13.913 8.087 90 90 90 Imcm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba1 .25 .24510 0 .63 .72 .00170 .00096 .00259 0 0 0 |
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K1 .25 .24510 0 .37 .72 .00170 .00096 .00259 0 0 0 |
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K2 .25 .6837 .5 .70 1.78 .00244 .00405 .00438 0 0 0 |
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Na2 .25 .6837 .5 .30 1.78 .00244 .00405 .00438 0 0 0 |
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Na 0 0 0 2.38 .00835 .00411 .00107 .000423 0 0 |
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Ti4+ .25 .471 .2384 .72 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Nb3+ .25 .471 .2384 .06 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Fe2+ .25 .471 .2384 .16 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Zr4+ .25 .471 .2384 .06 1.82 .00139 .00087 .01599 0 0 -.00052 |
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Si .52520 .35528 .1966 .71 .00147 .00100 .00271 -.00004 -.00007 -.00009 |
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O1 .6172 .0670 .2214 1.11 .00199 .00135 .00542 .00031 .00025 -.00046 |
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O2 .3794 .1356 .2459 1.35 .00150 .00128 .00922 -.00011 -.00060 .00028 |
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O3 .5802 .25 .25 .25 .00203 .00089 .02282 0 0 .00089 |
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O4 .5326 .3569 0 .41 .00770 .01101 .00157 -.00314 0 0 |
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O5 .75 .9580 0 .11 .00344 .00118 .00302 0 0 0 |
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O6 .75 .9718 .5 .17 .00251 .00225 .00872 0 0 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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