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Ilesite |
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Anderson J L, Peterson R C, Swainson I |
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American Mineralogist 97 (2012) 1905-1914 |
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The atomic structure of deuterated boyleite ZnSO4*4D2O, |
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ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O |
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Locality: synthetic |
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_database_code_amcsd 0019608 |
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5.9753 13.8186 8.0461 90 90.826 90 P2_1/n |
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atom x y z Uiso |
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Mn .066 .106 .210 .014 |
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S .195 .106 .823 .002 |
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O1 .008 .0512 .753 .025 |
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O2 .254 .0746 .992 .028 |
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O3 .392 .0967 .715 .025 |
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O4 .144 .2121 .820 .026 |
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Ow1 .375 .0739 .357 .033 |
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Ow2 .760 .1397 .088 .027 |
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Ow3 .884 .1281 .444 .027 |
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Ow4 .180 .2521 .221 .018 |
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H1a .376 .086 .475 .061 |
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H1b .466 .0189 .334 .030 |
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H2a .665 .1906 .147 .061 |
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H2b .655 .096 .044 .070 |
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H3a .801 .1870 .461 .038 |
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H3b .912 .101 .550 .043 |
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H4a .317 .267 .286 .038 |
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H4b .589 .1910 .719 .038 |
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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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Ilesite |
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Held P, Bohaty L |
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Acta Crystallographica E58 (2002) i121-i123 |
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Manganese(II) sulfate tetrahydrate (ilesite) |
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Locality: synthetic |
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_database_code_amcsd 0010394 |
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5.9783 13.8090 8.0481 90 90.800 90 P2_1/n |
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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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Mn .06667 .10261 .21594 .01747 .02056 .01551 .01631 -.00034 -.00026 -.00003 |
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S .20032 .10849 .82188 .01560 .0184 .0134 .0151 -.00058 .00095 -.00009 |
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O1 .0109 .05008 .7552 .0234 .0264 .0175 .0260 -.0053 -.0048 .0007 |
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O2 .2564 .07572 .99251 .0239 .0301 .0256 .0159 .0044 -.0008 .0012 |
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O3 .3984 .09375 .7163 .0239 .0231 .0254 .0234 .0008 .0089 -.0014 |
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O4 .1356 .21082 .82053 .0237 .0271 .0139 .0301 .0008 -.0006 -.0002 |
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O5 .3669 .07319 .3593 .0289 .0268 .0335 .0262 .0083 -.0069 -.0032 |
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O6 .7558 .14361 .0858 .0304 .0277 .0355 .0278 .0028 -.0048 -.0026 |
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O7 .8842 .12756 .4446 .0341 .0467 .0355 .0201 .0187 .0065 .0019 |
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O8 .1848 .25134 .2205 .0274 .0255 .0188 .0378 .0006 -.0046 -.0036 |
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H51 .368 .083 .450 .051 |
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H52 .460 .027 .330 .049 |
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H61 .672 .185 .133 .069 |
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H62 .675 .105 .043 .063 |
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H71 .820 .176 .448 .030 |
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H72 .907 .112 .535 .058 |
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H81 .279 .262 .282 .056 |
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H82 .096 .299 .225 .045 |
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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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