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Cymrite-K |
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Fasshauer D W, Chatterjee N D, Marler B |
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Physics and Chemistry of Minerals 24 (1997) 455-462 |
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Synthesis, structure, thermodynamic properties, and stability |
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relations of K-cymrite, K[AlSi3O8].H2O |
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_database_code_amcsd 0008028 |
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5.3348 5.3348 7.7057 90 90 120 P6/mmm |
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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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K 0 0 0 .03730 |
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Al 1/3 2/3 .28831 .25 .01243 |
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Si 1/3 2/3 .2883 .75 .01243 |
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O1 .5 0 .21369 .01419 |
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O2 1/3 2/3 .5 .01429 |
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Wat 0 0 .5 .0103 .0103 .2231 .0052 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cymrite |
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Drits V A, Kashaev A A, Sokolova G V |
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Soviet Physics Crystallography 20 (1975) 171-175 |
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Crystal structure of cymrite |
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Note: Y(O11) corrected |
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_database_code_amcsd 0015567 |
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5.33 36.59999 7.67 90 90. 90 P2_1 |
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atom x y z occ |
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Ba1 -.0249 -.0015 .0083 |
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Ba2 .5267 .1235 .0083 |
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Ba3 .0292 .2485 .0083 |
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Ba4 .5267 .3735 -.0083 |
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Al1 .506 .0416 .280 .5 |
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Si1 .506 .0416 .280 .5 |
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Al2 .510 .0416 -.270 .5 |
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Si2 .510 .0416 -.270 .5 |
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Al3 .0092 .083 .304 .5 |
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Si3 .0092 .083 .304 .5 |
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Al4 .0204 .083 -.265 .5 |
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Si4 .0204 .083 -.265 .5 |
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Al5 .0292 .167 .302 .5 |
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Si5 .0292 .167 .302 .5 |
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Al6 .0283 .167 -.268 .5 |
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Si6 .0283 .167 -.268 .5 |
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Al7 .529 .208 .302 .5 |
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Si7 .529 .208 .302 .5 |
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Al8 .527 .208 -.260 .5 |
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Si8 .527 .208 -.260 .5 |
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Al9 .535 .292 .292 .5 |
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Si9 .535 .292 .292 .5 |
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Al10 .528 .292 -.265 .5 |
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Si10 .528 .292 -.265 .5 |
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Al11 .0308 .333 .302 .5 |
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Si11 .0308 .333 .302 .5 |
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Al12 .0308 .333 -.260 .5 |
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Si12 .0308 .333 -.260 .5 |
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Al13 .0304 .417 .300 .5 |
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Si13 .0304 .417 .300 .5 |
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Al14 .0204 .417 -.265 .5 |
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Si14 .0204 .417 -.265 .5 |
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Al15 .521 .458 .302 .5 |
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Si15 .521 .458 .302 .5 |
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Al16 .521 .458 -.267 .5 |
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Si16 .521 .458 -.267 .5 |
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O1 .516 .0416 .506 |
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O2 .0158 .0835 .522 |
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O3 .0375 .167 .514 |
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O4 .525 .210 .516 |
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O5 .536 .290 .516 |
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O6 .0258 .333 .516 |
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O7 .0204 .416 .520 |
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O8 .510 .458 .516 |
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O9 .474 .000 .194 |
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O10 .544 -.0006 -.222 |
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O11 .294 .072 .218 |
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O12 .218 .050 -.221 |
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O13 .766 .062 .185 |
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O14 .750 .064 -.171 |
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O15 -.0416 .125 .225 |
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O16 .036 .125 -.180 |
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O17 .311 .178 .230 |
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O18 .770 .186 -.180 |
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O19 .811 .196 .230 |
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O20 .270 .189 -.180 |
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O21 .453 .250 .230 |
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O22 .527 .250 -.185 |
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O23 .811 .304 .233 |
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O24 .269 .311 -.174 |
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O25 .324 .324 .240 |
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O26 .770 .314 -.180 |
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O27 -.047 .375 .230 |
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O28 .025 .375 -.184 |
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O29 .307 .431 .226 |
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O30 .770 .436 -.180 |
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O31 .805 .444 .225 |
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O32 .267 .439 -.179 |
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Wat1 -.025 -.002 .387 .5 |
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Wat2 .527 .124 .387 .5 |
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Wat3 .029 .248 .387 .5 |
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Wat4 .527 .374 -.387 .5 |
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Wat5 -.025 .006 .624 .5 |
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Wat6 .527 .131 .624 .5 |
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Wat7 .029 .256 .624 .5 |
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Wat8 .527 .382 -.624 .5 |
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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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