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Vesuvianite |
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Galuskin E V, Galuskina I O, Stadnicka K, Armbruster T, Kozanecki M |
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The Canadian Mineralogist 45 (2007) 239-248 |
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The crystal structure of Si-deficient, OH-substituted, boron-bearing |
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vesuvianite from the Wiluy River, Sakha-Yakutia, Russia |
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Locality: Wiluy River, Sakha-Yakutia, Russia |
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_database_code_amcsd 0006135 |
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15.678 15.678 11.828 90 90 90 *P4/nnc |
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.25 .25 .25 |
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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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CaX1 .75 .25 .75 .01807 .02298 .01571 .01553 0 0 0 |
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CaX2 .68891 .04439 .87814 .01699 .01541 .01942 .01615 -.00147 .00182 .00096 |
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CaX3 .40049 .18009 .60724 .02965 .02418 .02343 .04135 -.00186 .01190 -.00296 |
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CaX'4 .75 -.25 .85351 .5 .01690 .0144 .0144 .0219 0 0 0 |
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AlY'1 .75 -.25 .95483 .157 .0317 .0216 .0216 .0519 0 0 0 |
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MgY'1 .75 -.25 .95483 .079 .0317 .0216 .0216 .0519 0 0 0 |
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FeY'1 .75 -.25 .95483 .211 .0317 .0216 .0216 .0519 0 0 0 |
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MnY'1 .75 -.25 .95483 .053 .0317 .0216 .0216 .0519 0 0 0 |
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AlY2 .5 0 .5 .667 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 |
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MgY2 .5 0 .5 .333 .01617 .01591 .01484 .01776 -.00044 -.00177 .00030 |
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AlY3 .61234 .38005 .87360 .667 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 |
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MgY3 .61234 .38005 .87360 .333 .01545 .01528 .01629 .01478 .00059 .00204 -.00107 |
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BT1 .4436 .0564 .75 .067 .05 |
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BT2 .25 .25 .75 .216 .05 |
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SiZ1 .75 .25 1 .748 .01093 .0108 .0108 .0111 0 0 0 |
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SiZ2 .54229 .18060 .87209 .842 .01283 .01434 .01176 .01238 .00063 .00153 .00121 |
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SiZ3 .65065 -.08408 .63561 .01705 .01509 .01972 .01632 -.00160 -.00068 .00177 |
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O1 .72007 .32942 .91234 .748 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 |
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OH1 .72007 .32942 .91234 .252 .02004 .0190 .0208 .0204 -.0009 .0017 -.0045 |
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O2 .61819 .15945 .77901 .842 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 |
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OH2 .61819 .15945 .77901 .158 .01998 .0195 .0192 .0212 -.0007 .0003 .0016 |
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O3 .54820 .27829 .92458 .842 .02002 .0223 .0212 .0166 .0023 .0002 .0019 |
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OH3 .54820 .27829 .92458 .158 .02002 .0223 .0212 .0166 .0023 .0002 .0019 |
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O4 .56310 .10551 .97153 .842 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 |
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OH4 .56310 .10551 .97153 .158 .01973 .0200 .0191 .0200 -.0016 .0026 -.0020 |
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O5 .67020 .01257 .67890 .01902 .0178 .0233 .0159 -.0044 -.0003 .0004 |
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O6 .72558 -.12034 .55705 .02455 .0210 .0319 .0208 .0019 .0029 .0061 |
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O7 .44543 .17227 .82196 .842 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 |
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OH7 .44543 .17227 .82196 .158 .03679 .0305 .0432 .0366 -.0053 .0001 .0032 |
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O8 .59180 -.06063 .93132 .01796 .0180 .0180 .0179 -.0015 .0023 -.0006 |
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O9 .64567 -.14567 .75 .02038 .0220 .0220 .0172 -.0007 .0007 .0007 |
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O10 .25 .25 .64874 .91 .0672 .0508 .0508 .1001 0 0 0 |
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Cl10 .25 .25 .64874 .09 .0672 .0508 .0508 .1001 0 0 0 |
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O11 .43760 -.00323 .86201 .02173 .0221 .0226 .0205 .0009 .0008 .0031 |
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H .4702 .0064 .8098 .7 .05 |
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Retgersite |
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Stadnicka K, Glazer A M, Koralewski M |
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Acta Crystallographica B43 (1987) 319-325 |
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Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate |
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Locality: synthetic |
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Note: y(O3) corrected to match reported bond lengths |
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_database_code_amcsd 0009810 |
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6.783 6.783 18.2880 90 90 90 P4_12_12 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .21060 .21060 0 .0142 .0142 .0135 -.0015 .0005 -.0005 |
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S .70943 .70943 0 .0147 .0147 .0203 -.0006 .0014 -.0014 |
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O4 .6209 .6203 .0658 .0478 .0221 .0242 -.0091 .0108 .0002 |
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O5 .9237 .6731 .0003 .0170 .0248 .0418 .0058 -.0045 -.0074 |
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O1 .1727 -.0470 .0528 .0335 .0245 .0284 -.0128 -.0125 .0123 |
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O2 .4705 .2449 .0561 .0165 .0193 .0287 -.0005 -.0040 -.0032 |
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O3 .0658 .3559 .0850 .0219 .0212 .0188 .0042 .0013 .0001 |
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H11 .1097 -.1333 .0394 .0487 |
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H12 .2215 -.0746 .0867 .0506 |
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H21 .5702 .1559 .0507 .0504 |
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H22 .5371 .3532 .0601 .0491 |
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H31 -.0051 .4453 .0744 .0516 |
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H32 -.0101 .2941 .1149 .0502 |
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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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