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Nickelboussingaultite |
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Montgomery H, Lingafelter E C |
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Acta Crystallographica 17 (1964) 1478-1479 |
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The crystal structure of Tutton's salts. II. |
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Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate |
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Locality: synthetic |
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_database_code_amcsd 0020239 |
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9.241 12.554 6.243 90 106.97 90 P2_1/a |
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atom x y z |
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N1 .1354 .3452 .3543 |
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H1 .074 .305 .168 |
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H2 .192 .323 .391 |
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H3 .082 .347 .375 |
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Ni 0 0 0 |
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S .4074 .1369 .7390 |
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O1 .4144 .2272 .5912 |
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O2 .5485 .0754 .7883 |
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O3 .2789 .0671 .6218 |
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O4 .3839 .1774 .9478 |
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O5 .1682 .1071 .1639 |
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O6 -.1600 .1100 .0357 |
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O7 .0019 -.0661 .2987 |
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H4 .137 .399 .337 |
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H5 .187 .094 .323 |
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H6 .214 .124 .116 |
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H7 -.245 .089 -.056 |
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H8 -.146 .184 .023 |
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H9 -.086 -.058 .352 |
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H10 .004 -.143 .333 |
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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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Nickelboussingaultite |
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Treushnikov E N, Kuskov V I, Soboleva L V, Belov N V |
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Soviet Physics Crystallography 23 (1978) 30-41 |
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Distribution of electron density in nickel ammonium sulphate hexahydrate |
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[Ni*6H2O](NH4)2(SO4)2 from x-ray diffraction data |
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Locality: synthetic |
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_database_code_amcsd 0015578 |
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6.243 9.484 12.467 90 90 112.067 P2_1/n |
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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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N .77845 .13556 .34633 .01744 .00669 .00446 .00289 .00074 .00047 |
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H7 .634 .087 .356 1.8 |
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H8 .808 .213 .305 1.3 |
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H9 .841 .071 .338 1.8 |
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H10 .831 .175 .416 2.3 |
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Ni .5 .5 .5 .01062 .00301 .00187 .00177 .00017 .00034 |
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S .16861 -.09238 .36337 .01283 .00372 .00222 .00244 .00039 .00004 |
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O1 -.06436 -.11650 .32312 .01600 .00999 .00349 .00563 .00098 -.00046 |
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O2 .32473 -.08593 .27243 .01744 .01064 .00330 .00535 .00119 .00196 |
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O3 .26179 .04864 .42481 .03448 .00512 .00525 .00339 -.00133 -.00258 |
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O4 .15884 -.22062 .43327 .01869 .00551 .00351 .00330 .00136 -.00033 |
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O5 .29735 -.00195 .06649 .01410 .00688 .00301 .00351 .00025 -.00033 |
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O6 .00597 .16859 .10708 .01785 .00595 .00349 .00461 -.00115 -.0009 |
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O7 .30469 .33931 .38990 .01772 .00530 .00293 .00217 -.00031 -.00033 |
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H1 .415 .086 .072 1.7 |
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H2 .789 .471 .362 1.9 |
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H3 .902 .213 .090 1.6 |
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H4 .145 .241 .125 .6 |
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H5 .371 .364 .322 1.9 |
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H6 .291 .243 .408 1.6 |
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| Download AMC data (View Text File) Download CIF data |