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Julienite |
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Mereiter K, Preisinger A |
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Acta Crystallographica B38 (1982) 1084-1088 |
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The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O |
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Locality: synthetic |
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_database_code_amcsd 0009760 |
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18.941 19.209 5.460 90 91.64 90 P2_1/n |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .5575 .4986 .2579 .0580 .0479 .0402 -.0021 .0026 -.0010 |
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Na2 .4947 .0553 .2459 .0603 .0506 .0373 .0032 -.0003 .0019 |
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Co .2473 .2532 .4841 .0451 .0397 .0349 .0003 .0027 -.0006 |
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S1 .4225 .2717 -.1131 .0577 .0544 .0429 -.0091 .0102 -.0024 |
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S2 .2345 .4412 .0364 .0595 .0849 .0971 -.0073 .0118 -.0521 |
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S3 .0594 .2287 -.0960 .0724 .0551 .0503 -.0083 -.0149 .0136 |
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S4 .2654 .0812 .1001 .0685 .0605 .0480 .0068 .0050 .0219 |
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C1 .3671 .2670 .1065 3.4 |
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C2 .2344 .3800 .8366 3.4 |
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C3 .1208 .2382 .1150 3.1 |
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C4 .2598 .1347 .8668 3.5 |
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N1 .3278 .2623 .2657 3.2 |
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N2 .2358 .3361 .6914 3.9 |
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N3 .1631 .2429 .2683 3.7 |
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N4 .2565 .1747 .7126 3.4 |
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Wat1 .5409 .4296 .6164 3.4 |
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Wat2 .5442 .5704 -.1048 3.6 |
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Wat3 .6342 .5727 .4949 6.1 |
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Wat4 .6274 .4192 .0404 5.8 |
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Wat5 .4353 -.0513 .3872 3.7 |
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Wat6 .4206 .0347 -.1192 3.6 |
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Wat7 .4135 .1250 .4634 4.5 |
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Wat8 .5495 .1442 .0088 5.1 |
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Na2S*9H2O |
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Bedlivy D, Preisinger A |
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Zeitschrift fur Kristallographie 121 (1965) 114-130 |
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Die struktur von Na2S*9H2O und Na2Se*9H2O |
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_database_code_amcsd 0010613 |
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9.331 9.331 12.850 90 90 90 P4_322 |
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atom x y z Biso |
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Na1 .5 .309 0 1.9 |
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Na2 .147 0 .75 1.6 |
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S .500 .186 .500 1.2 |
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Wat1 .506 .506 .125 1.4 |
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Wat2 .190 .993 .559 1.7 |
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Wat3 .459 .115 .123 1.7 |
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Wat4 .331 .186 .728 1.7 |
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Wat5 .300 .238 .280 1.7 |
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Na2Se*9H2O |
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Bedlivy D, Preisinger A |
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Zeitschrift fur Kristallographie 121 (1965) 114-130 |
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Die struktur von Na2S*9H2O und Na2Se*9H2O |
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_database_code_amcsd 0010614 |
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9.496 9.496 13.057 90 90 90 P4_322 |
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atom x y z Biso |
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Na1 .5 .308 0 2.0 |
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Na2 .143 0 .75 1.6 |
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Se .5 .183 .5 1.6 |
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Wat1 .505 .505 .125 1.4 |
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Wat2 .188 .994 .563 1.8 |
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Wat3 .464 .120 .122 1.8 |
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Wat4 .324 .178 .730 1.8 |
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Wat5 .299 .242 .279 1.8 |
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Na2S*5H2O |
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Bedlivy D, Preisinger A |
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Zeitschrift fur Kristallographie 121 (1965) 131-144 |
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Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O |
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_database_code_amcsd 0010615 |
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6.475 12.545 8.655 90 90 90 Cmcm |
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atom x y z Biso |
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Na1 0 0 0 1.5 |
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Na2 .5 .042 .75 1.5 |
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S 0 .313 .75 1.2 |
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Wat1 0 .093 .25 1.7 |
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Wat2 .262 .124 .57 1.6 |
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Na2Se(H2O)5 |
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Bedlivy D, Preisinger A |
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Zeitschrift fur Kristallographie 121 (1965) 131-144 |
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Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O |
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_database_code_amcsd 0010616 |
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6.569 12.873 8.912 90 90 90 Cmcm |
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atom x y z |
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Na1 0 0 0 |
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Na2 .5 .045 .75 |
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Se 0 .311 .75 |
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Wat1 0 .08 .25 |
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Wat2 .26 .121 .575 |
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Na2Te(H2O)5 |
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Bedlivy D, Preisinger A |
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Zeitschrift fur Kristallographie 121 (1965) 131-144 |
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Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O |
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_database_code_amcsd 0010617 |
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6.735 13.469 9.219 90 90 90 Cmcm |
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atom x y z |
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Na1 0 0 0 |
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Na2 .5 .05 .75 |
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Te 0 .31 .75 |
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Wat1 0 .06 .25 |
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Wat2 .26 .11 .58 |
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Larsenite |
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Prewitt C T, Kirchner E, Preisinger A |
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Zeitschrift fur Kristallographie 124 (1967) 115-130 |
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Crystal structure of larsenite PbZnSiO4 |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0010633 |
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8.2441 18.96259 5.06 90 90 90 Pna2_1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .0373 .2702 .25 1.0 .0038 .0010 .0061 .0002 -.0020 -.0002 |
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Pb2 .1476 .0588 .2780 .9 .0035 .0008 .0057 0 .0001 -.0004 |
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Zn1 .8220 .1560 .7170 .8 .0028 .0009 .0045 -.0002 .0002 .0002 |
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Zn2 .5017 .0579 .7220 .6 .0018 .0007 .0039 -.0004 0 .0002 |
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Si1 .2008 .1781 .726 .6 .0039 .0004 .0038 .0003 -.0014 -.0012 |
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Si2 .7312 .0739 .215 .8 .0020 .0007 .0095 0 .0002 -.0002 |
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O1 .220 .257 .593 1.4 |
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O2 .351 .130 .646 .7 |
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O3 .037 .147 .584 .8 |
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O4 .173 .183 .042 1.3 |
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O5 .748 .152 .081 .9 |
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O6 .572 .034 .081 .7 |
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O7 .886 .024 .144 .8 |
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O8 .703 .079 .532 1.1 |
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Na3SbS4*9H2O |
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Mereiter K, Preisinger A, Guth H, Heger G, Hiebl K, Mikenda W |
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Zeitschrift fur Kristallographie 150 (1979) 215-229 |
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Hydrogen bonds in Schlippe's salt, Na3SbS4*9H2O and Na3SbS4*9D2O: |
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Diffraction and spectroscopic studies in the temperature range of |
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75K to 295 K |
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Note: sample at T = 105 K |
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_database_code_amcsd 0010815 |
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11.878 11.878 11.878 90 90 90 P2_13 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .29175 .29175 .29175 .72 .0091 .0091 .0091 0 0 0 |
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Na2 .44977 .44977 .44977 .66 .0083 .0083 .0083 0 0 0 |
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Na3 .60484 .60484 .60484 .66 .0084 .0084 .0084 0 0 0 |
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Sb .03840 .03840 .03840 .52 .0066 .0066 .0066 0 0 0 |
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S1 .92520 .92520 .92520 .79 .0100 .0100 .0100 0 0 0 |
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S2 .15051 .15032 .92169 .58 .0042 .0101 .0078 .0009 .0015 .0004 |
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O1 -.02558 .36670 .92586 .65 .0097 .0070 .0081 .0009 .0011 -.0010 |
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O2 .18500 .69551 .99234 .74 .0091 .0095 .0095 -.0011 .0000 -.0026 |
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O3 .10095 .25624 .33022 .82 .0083 .0093 .0137 .0012 .0007 .0006 |
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D1 .02305 .30139 .92029 1.73 .0242 .0170 .0247 .0073 .0010 -.0036 |
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D2 -.07450 .36616 .86074 1.54 .0208 .0216 .0160 -.0003 -.0055 -.0018 |
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D3 .25285 .66112 .02037 1.81 .0185 .0247 .0255 .0033 -.0055 -.0005 |
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D4 .16960 .75891 .04109 1.75 .0259 .0192 .0213 .0009 .0001 -.0057 |
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D5 .04849 .22898 .27438 2.17 .0227 .0306 .0292 -.0043 -.0081 .0050 |
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D6 .05965 .30799 .37455 2.84 .0363 .0207 .0509 .0055 .0206 -.0061 |
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Atelestite |
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Mereiter K, Preisinger A |
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Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81 |
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Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit |
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Locality: Schneeberg, Saxony, Germany |
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_database_code_amcsd 0012025 |
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7.000 7.430 10.831 90 107.08 90 P2_1/c |
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atom x y z Biso |
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Bi1 .2507 .4193 .4733 .8 |
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Bi2 .4062 .8375 .6639 .9 |
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As1 .1319 .5709 .8314 .7 |
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O1 .502 .584 .603 .8 |
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OH2 .379 .244 .646 1.0 |
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O3 .194 .633 .698 1.2 |
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O4 .185 .732 .947 1.7 |
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O5 .270 .385 .889 1.3 |
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O6 -.113 .532 .779 1.4 |
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Mixite |
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Mereiter K, Preisinger A |
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Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81 |
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Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit |
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Locality: Tintic, Utah, USA |
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_database_code_amcsd 0012026 |
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13.646 13.646 5.920 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Bi 2/3 1/3 .75 .66 1.1 |
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Ca 2/3 1/3 .75 .34 1.1 |
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Cu .4138 .0982 .4975 1.0 |
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As .6554 .1486 .25 .7 |
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O1 .800 .214 .25 1.0 |
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O2 .612 .008 .25 1.1 |
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O3 .605 .1767 .483 1.1 |
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OH4 .369 -.007 .25 1.1 |
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OH5 .438 .195 .75 1.7 |
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Wat6 .112 -.047 .75 22.0 |
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Pucherite |
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Mereiter K, Preisinger A |
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Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81 |
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Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit |
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Locality: Schneeberg, Saxony, Germany |
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_database_code_amcsd 0012027 |
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5.319 5.050 12.011 90 90 90 Pnca |
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atom x y z Biso |
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Bi .25 0 .11045 1.2 |
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V .25 0 .39396 .8 |
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O1 -.0839 -.2434 .0366 1.3 |
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O2 -.0438 .3585 .1919 1.4 |
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Sepiolite |
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Brauner K, Preisinger A |
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Tschermaks Mineralogische und Petrographische Mitteilungen 6 (1956) 120-140 |
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Struktur und entstehung des sepioliths |
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_database_code_amcsd 0015633 |
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13.4 26.79999 5.28 90 90 90 Pncn |
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atom x y z |
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Mg1 0 .028 .25 |
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Mg2 0 .916 .25 |
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Mg3 0 .14 .25 |
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Mg4 0 .804 .25 |
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Si1 .208 .028 .5625 |
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Si2 .208 .14 .5625 |
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Si3 .208 .196 .0625 |
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O1 .25 .25 .0625 |
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O2 .084 .028 .5625 |
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O3 .084 .14 .5625 |
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O4 .084 .196 .0625 |
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O5 .24 0 .3125 |
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O6 .24 .084 .5625 |
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O7 .24 .168 .3125 |
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O8 .24 .168 .8125 |
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OH .084 .084 .0625 |
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Wat1 .083 .25 .5 |
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Wat2 .083 .416 .9167 |
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Wat3 0 .672 .25 |
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Wat4 0 .485 .25 |
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Sahamalite-(Ce) |
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Pertlik F, Preisinger A |
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Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 39-46 |
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Crystal structure of sahamalite (Mg,Fe)RE2(CO3)4 |
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Locality: Mountain Pass mine, San Bernardino County, California |
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_database_code_amcsd 0015692 |
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5.894 16.116 4.612 90 106.54 90 P2_1/a |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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MgM 0 0 0 .86 .0047 .0005 .0049 -.0001 .0021 -.0005 |
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FeM 0 0 0 .14 .0047 .0005 .0049 -.0001 .0021 -.0005 |
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CeRE .08173 .34587 .30511 .5 .00609 .00048 .00813 .00020 .00116 -.00004 |
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LaRE .08173 .34587 .30511 .5 .00609 .00048 .00813 .00020 .00116 -.00004 |
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C1 .3084 .0463 .6120 .0037 .0004 .0067 .0008 .0002 .0007 |
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C2 .5228 .3115 .8183 .0053 .0007 .0105 -.0002 .0011 -.0006 |
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O11 .2825 .0454 .3273 .0070 .0012 .0079 -.0004 .0004 .0000 |
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O12 .4182 .1072 .7634 .0092 .0009 .0103 -.0002 .0041 -.0004 |
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O13 .2273 .9855 .7392 .0097 .0008 .0113 .0000 .0048 .0008 |
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O21 .6813 .2787 .0429 .0079 .0005 .0117 .0001 .0010 .0013 |
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O22 .0286 .7784 .4454 .0077 .0013 .0156 -.0003 .0028 .0000 |
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O23 .0943 .8769 .1511 .0100 .0006 .0180 -.0011 .0018 .0008 |
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|
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