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Dwornikite |
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Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
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American Mineralogist 105 (2020) 1472-1489 |
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Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
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series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
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implications for icy moons and Mars |
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Locality: synthetic |
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_database_code_amcsd 0020993 |
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6.8586 7.6202 7.5448 90 117.842 90 C2/c |
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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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Ni 0 .5 0 .5248 .00822 .00686 .00859 .00841 -.00026 .00288 .00028 |
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Mg 0 .5 0 .4752 .00822 .00686 .00859 .00841 -.00026 .00288 .00028 |
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S 0 .15612 .25 .00777 .00557 .00763 .00916 0 .00264 0 |
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O1 .17421 .04590 .39953 .01420 .0082 .0160 .0164 .00372 .00416 .0068 |
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O2 .09821 .26909 .15246 .01266 .0118 .0117 .0164 .00137 .0082 .00434 |
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O3 0 .63291 .25 .01100 .0098 .0123 .0108 0 .0047 0 |
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H .111 .700 .294 .033 |
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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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Dwornikite |
|
Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
| |
American Mineralogist 105 (2020) 1472-1489 |
|
Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
|
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
|
implications for icy moons and Mars |
|
Locality: synthetic |
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_database_code_amcsd 0020994 |
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6.8446 7.6144 7.5018 90 117.804 90 C2/c |
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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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Ni 0 .5 0 .7593 .00713 .00668 .00739 .00721 -.00033 .00314 .00028 |
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Mg 0 .5 0 .2407 .00713 .00668 .00739 .00721 -.00033 .00314 .00028 |
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S 0 .15643 .25 .00649 .00525 .00622 .00771 0 .00279 0 |
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O1 .17356 .04637 .40142 .01303 .0078 .0150 .0150 .00366 .00427 .00698 |
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O2 .10079 .26961 .15372 .01129 .0111 .0101 .0147 .00108 .00782 .00429 |
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O3 0 .63209 .25 .00972 .0091 .0109 .0094 0 .0045 0 |
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H .111 .695 .291 .020 |
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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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Dwornikite |
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Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
| |
American Mineralogist 105 (2020) 1472-1489 |
|
Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
|
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
|
implications for icy moons and Mars |
|
Locality: synthetic |
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_database_code_amcsd 0020995 |
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6.8290 7.6047 7.4626 90 117.749 90 C2/c |
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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 0 .5 0 .00639 .00572 .00692 .00624 -.00025 .00253 .00018 |
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S 0 .15664 .25 .00579 .00441 .00591 .00668 0 .00229 0 |
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O1 .17289 .04649 .40331 .01205 .0071 .0142 .0136 .0037 .0038 .0069 |
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O2 .10307 .26994 .15466 .01011 .0095 .0095 .0135 .00135 .0071 .0043 |
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O3 0 .63135 .25 .00883 .0079 .0103 .0082 0 .0037 0 |
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H .108 .694 .296 .020 |
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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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Dwornikite |
|
Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
| |
American Mineralogist 105 (2020) 1472-1489 |
|
Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
|
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
|
implications for icy moons and Mars |
|
Note: T = 0 C |
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Locality: synthetic |
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_database_code_amcsd 0020996 |
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6.8252 7.6070 7.4587 90 117.724 90 C2/c |
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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 0 .5 0 .00577 .00521 .00627 .00552 -.00020 .00223 .00023 |
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S 0 .15681 .25 .00527 .00403 .00542 .00597 0 .00201 0 |
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O1 .17279 .04668 .40353 .01106 .0065 .0132 .0125 .00321 .00356 .00631 |
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O2 .10339 .27006 .15477 .00926 .0089 .0086 .0122 .00120 .00657 .00377 |
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O3 0 .63108 .25 .00810 .0076 .0092 .0076 0 .0037 0 |
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H .108 .695 .294 .020 |
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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) |
| |
|
Dwornikite |
|
Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
| |
American Mineralogist 105 (2020) 1472-1489 |
|
Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
|
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
|
implications for icy moons and Mars |
|
Note: T = -80 C |
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Locality: synthetic |
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_database_code_amcsd 0020997 |
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6.8115 7.6122 7.4444 90 117.629 90 C2/c |
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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 0 .5 0 .00428 .00390 .00468 .00412 -.00014 .00173 .00016 |
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S 0 .15727 .25 .00404 .00314 .00423 .00453 0 .00159 0 |
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O1 .17262 .04732 .40413 .00843 .0052 .0100 .0094 .00250 .00281 .00463 |
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O2 .10428 .27059 .15519 .00703 .0067 .0066 .0094 .00068 .00512 .00264 |
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O3 0 .63077 .25 .00631 .0060 .0070 .0061 0 .0029 0 |
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H .109 .695 .294 .020 |
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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) |
| |
|
Dwornikite |
|
Talla D, Balla M, Aicher C, Lengauer C L, Wildner M |
| |
American Mineralogist 105 (2020) 1472-1489 |
|
Structural and spectroscopic study of the kieserite-dwornikite solid-solution |
|
series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical |
|
implications for icy moons and Mars |
|
Note: T = -160 C |
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Locality: synthetic |
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_database_code_amcsd 0020998 |
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6.8037 7.6178 7.4371 90 117.580 90 C2/c |
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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 0 .5 0 .00292 .00272 .00320 .00283 -.00010 .00127 .00010 |
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S 0 .15763 .25 .00284 .00228 .00297 .00321 0 .00121 0 |
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O1 .17257 .04772 .40473 .00604 .0039 .0070 .0067 .00183 .00202 .00315 |
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O2 .10507 .27108 .15552 .00506 .0051 .0047 .0067 .00031 .00378 .00181 |
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O3 0 .63055 .25 .00491 .0042 .0056 .0050 0 .0022 0 |
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H .109 .695 .294 .020 |
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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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Dwornikite |
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Le Fur Y, Coing-Boyat J, Bassi G |
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Comptes Rendus de l'Academie des Sciences Paris C262 (1966) 632-635 |
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Structure des sulfates monohydrates, monocliniques, des metaux de transition, |
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MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) |
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Locality: synthetic |
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_database_code_amcsd 0021019 |
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6.827 7.595 7.400 90 116.892 90 C2/c |
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atom x y z Biso |
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Ni 0 .5 0 .08 |
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S 0 .096 .25 .31 |
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O1 .200 -.016 .354 1.17 |
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O2 .019 .203 .094 1.55 |
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Wat 0 .636 .25 .85 |
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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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Dwornikite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014854 |
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6.824 7.594 7.457 90 117.79 90 C2/c |
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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 0 .5 0 .0119 .0108 .0109 -.0001 .0053 .0004 |
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S 0 .15667 .25 .0107 .0099 .0112 0 .0051 0 |
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O1 .1724 .0469 .4031 .0125 .0185 .0174 .0039 .0060 .0066 |
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O2 .1032 .2697 .1548 .0156 .0132 .0177 .0012 .0097 .0037 |
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O3 0 .6316 .25 .0135 .0129 .0128 0 .0058 0 |
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H .094 .706 .283 .0376 |
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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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