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Bornemanite |
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Ferraris G, Belluso E, Gula A, Soboleva S V, Ageeva O A, Borutskii B E |
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The Canadian Mineralogist 39 (2001) 1665-1673 |
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A structure model of the layer titanosilicate bornemanite based on |
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seidozerite and lomonosovite modules |
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_database_code_amcsd 0005756 |
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5.498 7.120 47.95 90 90 88.4 Ib |
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atom x y z occ Biso |
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Si1 .440 .124 .280 2 |
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Si2 .362 .573 .287 2 |
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Si3 .726 .361 .391 2 |
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Si4 .675 .783 .399 2 |
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P .360 .891 .459 2 |
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Ti1 .175 .088 .405 2 |
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Ti2 .835 .608 .336 2 |
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Nb .890 .878 .270 .7 2 |
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Ti .890 .878 .270 .3 2 |
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Na1 .283 .285 .332 2 |
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Na2 .312 .820 .340 2 |
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Na3 .747 .105 .340 2 |
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Na4 .785 .400 .265 .75 2 |
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Mn4 .785 .400 .265 .25 2 |
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Na5 .180 .587 .408 .75 2 |
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Mn5 .180 .587 .408 .25 2 |
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Na6 .980 .560 .464 .65 2 |
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Ba6 .980 .560 .464 .35 2 |
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Ba .615 .775 .546 .65 2 |
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Na .615 .775 .546 .35 2 |
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O1 .410 .352 .280 2 |
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O2 .576 .710 .276 2 |
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O3 .735 .119 .283 2 |
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O4 .097 .650 .278 2 |
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O5 .258 -.035 .270 2 |
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O6 .492 .583 .317 2 |
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O7 .456 .024 .310 2 |
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O8 .900 .860 .314 2 |
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O9 .907 .372 .314 2 |
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O10 .726 .563 .407 2 |
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O11 .970 .316 .409 2 |
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O12 .942 .863 .404 2 |
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O13 .485 .250 .400 2 |
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O14 .430 .892 .409 2 |
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O15 .145 .553 .360 2 |
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O16 .105 .051 .365 2 |
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O17 .675 .790 .365 2 |
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O18 .648 .408 .359 2 |
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O19 .172 .035 .447 2 |
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O20 .415 .688 .449 2 |
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O21 .642 -.109 .460 2 |
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O22 .268 -.109 .489 2 |
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| Download AMC data (View Text File)
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Seidite-(Ce) |
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Ferraris G, Belluso E, Gula A, Soboleva S V, Khomyakov A P |
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The Canadian Mineralogist 41 (2003) 1183-1192 |
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The crystal structure of seidite-(Ce), Na4(Ce,Sr)2{Ti(OH)2(Si8O18)}(O,OH,F)4.5H2O, |
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a modular microporous titanosilicate of the rhodesite group |
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_database_code_amcsd 0005884 |
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24.61 7.23 14.53 90 94.6 90 C2/c |
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atom x y z occ |
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Si1 .136 .008 .083 |
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Si2 .126 .068 .870 |
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Si3 .185 .254 .260 |
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Si4 .183 .699 .212 |
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Ti 0 0 0 .86 |
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Nb 0 0 0 .06 |
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Mn 0 0 0 .05 |
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Fe 0 0 0 .02 |
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Ce .195 .750 .960 .21 |
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La .195 .750 .960 .15 |
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Nd .195 .750 .960 .05 |
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Pr .195 .750 .960 .02 |
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Sm .195 .750 .960 .01 |
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Sr .195 .750 .960 .27 |
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Ca .195 .750 .960 .10 |
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Th .195 .750 .960 .06 |
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Na1 .061 .759 .215 .80 |
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K1 .061 .759 .215 .07 |
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Ba1 .061 .759 .215 .03 |
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Na2 .159 .370 .045 .80 |
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K2 .159 .370 .045 .07 |
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Ba2 .159 .370 .045 .03 |
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O1 .071 .966 .072 |
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O2 .150 .048 .977 |
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O3 .157 .204 .800 |
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O4 .068 .102 .915 |
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O5 .161 .807 .116 |
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O6 .251 .225 .273 |
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O7 .159 .134 .171 |
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O8 .180 .475 .231 |
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O9 .149 .885 .819 |
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OH10 .987 .264 .036 |
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Wat11 0 .473 .25 |
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Wat12 0 .091 .25 |
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Wat13 .062 .512 .043 |
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O14 .265 .944 .932 |
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Wat15 .25 .25 0 |
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O16 .127 .514 .909 .11 |
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OH16 .127 .514 .909 .40 |
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F16 .127 .514 .909 .42 |
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Nafertisite |
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Ferraris G, Ivaldi G, Khomyakov A P, Soboleva S V, Belluso E, Pavese A |
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European Journal of Mineralogy 8 (1996) 241-249 |
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Nafertisite, a layer titanosilicate member of a polysomatic series including mica |
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_database_code_amcsd 0006619 |
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5.353 16.176 21.95 90 94.6 90 A2/m |
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atom x y z occ Uiso |
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Na1 1/2 0 0 .05 |
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Na2 0 -.154 0 .5 .02 |
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Na2' 0 -.279 0 .5 .02 |
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Fe1 .242 .3994 -.2649 .8 .010 |
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Fe2 .257 .8001 -.2453 .8 .016 |
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Fe3 .258 0 -.2319 .8 .012 |
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Ti -.036 0 -.0980 .005 |
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Si1 .444 -.122 -.117 .073 |
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Si2 .434 .312 -.133 .042 |
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Si3 -.064 .408 -.136 .030 |
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O1 .387 .301 -.206 .02 |
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OH2 .390 1/2 -.223 .03 |
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O3 .411 -.104 -.186 .01 |
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O4 -.109 .404 -.207 .05 |
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OH5 .104 .295 -.305 .02 |
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O6 .075 1/2 -.328 .02 |
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O7 .215 .362 -.109 .02 |
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O8 .725 -.089 -.081 .01 |
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O9 .247 .082 -.079 .06 |
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O10 .455 .222 -.100 .01 |
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O11 .752 .360 -.105 .05 |
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O12 -.073 1/2 -.105 .03 |
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O13 0 0 0 .00 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Kalifersite |
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Ferraris G, Khomyakov A P, Belluso E, Soboleva S V |
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European Journal of Mineralogy 10 (1998) 865-874 |
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Kalifersite, a new alkaline silicate from Kola Peninsula (Russia) |
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based on a palygorskite-sepiolite polysomatic series |
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Locality: Kola Peninsula, Russia |
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_database_code_amcsd 0006753 |
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14.86 20.54 5.29 95.6 92.3 94.4 P-1 |
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atom x y z occ |
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K1 .519 .108 .069 .72 |
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Na1 .519 .108 .069 .28 |
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K2 .01 .274 -.004 .72 |
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Na2 .01 .274 -.004 .28 |
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K3 0 1/2 1/2 .72 |
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Na3 0 1/2 1/2 .28 |
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Fe1 0 0 0 .55 |
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Mn1 0 0 0 .08 |
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Mg1 0 0 0 .07 |
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Ca1 0 0 0 .02 |
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Fe2 0 .077 .507 .55 |
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Mn2 0 .077 .507 .08 |
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Mg2 0 .077 .507 .07 |
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Ca2 0 .077 .507 .02 |
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Fe3 .508 .318 .175 .55 |
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Mn3 .508 .318 .175 .08 |
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Mg3 .508 .318 .175 .07 |
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Ca3 .508 .318 .175 .02 |
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Fe4 .506 .389 .702 .55 |
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Mn4 .506 .389 .702 .08 |
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Mg4 .506 .389 .702 .07 |
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Ca4 .506 .389 .702 .02 |
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Fe5 .501 .463 .234 .55 |
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Mn5 .501 .463 .234 .08 |
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Mg5 .501 .463 .234 .07 |
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Ca5 .501 .463 .234 .02 |
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Si1 .181 .068 .834 |
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Si2 .176 .122 .334 |
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Si3 .319 .306 .816 |
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Si4 .315 .448 .876 |
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Si5 .319 .235 .274 |
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Si6 .311 .525 .415 |
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Si7 .3 .67 .472 |
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Si8 .293 .742 -.003 |
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Si9 .191 .932 .796 |
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Si10 .192 .866 .268 |
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O1 .074 .078 .843 |
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OH2 .08 .004 .34 |
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OH2 .075 .147 .283 |
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O4 .428 .312 .833 |
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O5 .424 .456 .889 |
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O6 .427 .234 .253 |
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O7 .423 .383 .361 .5 |
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OH7 .423 .383 .361 .5 |
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O8 .42 .531 .424 |
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O9 .413 .602 -.048 .5 |
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OH9 .413 .602 -.048 .5 |
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O10 .411 .677 .483 |
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O11 .403 .748 .982 |
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O12 .082 .932 .816 |
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O13 .081 .858 .274 |
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O14 .208 .001 .673 |
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O15 .207 .121 .635 |
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O16 .195 .059 .136 |
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O17 .26 .165 .225 |
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O18 .274 .273 .05 |
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O19 .285 .266 .546 |
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O20 .27 .373 .839 |
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O21 .279 .474 .615 |
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O22 .287 .483 .144 |
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O23 .265 .593 .48 |
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O24 .259 .716 .704 |
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O25 .267 .686 .189 |
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O26 .245 .805 .132 |
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O27 .216 .926 .095 |
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O28 .219 .877 .574 |
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Wat29 .351 .013 .999 |
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Wat30 .613 .107 .579 |
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Wat31 .13 .414 .179 |
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Wat32 .891 .381 .755 |
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Wat33 .06 .293 .5 |
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Wat34 .147 .523 .902 |
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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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