American Mineralogist Crystal Structure Database

8 matching records for this search.

Dwornikite
Download hom/dwornikite.pdf
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
_database_code_amcsd 0020993
6.8586 7.6202 7.5448 90 117.842 90 C2/c
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .5248 .00822 .00686 .00859 .00841 -.00026 .00288 .00028
Mg        0     .5      0 .4752 .00822 .00686 .00859 .00841 -.00026 .00288 .00028
S         0 .15612    .25       .00777 .00557 .00763 .00916       0 .00264      0
O1   .17421 .04590 .39953       .01420  .0082  .0160  .0164  .00372 .00416  .0068
O2   .09821 .26909 .15246       .01266  .0118  .0117  .0164  .00137  .0082 .00434
O3        0 .63291    .25       .01100  .0098  .0123  .0108       0  .0047      0
H      .111   .700   .294         .033
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Dwornikite
Download hom/dwornikite.pdf
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
_database_code_amcsd 0020994
6.8446 7.6144 7.5018 90 117.804 90 C2/c
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .7593 .00713 .00668 .00739 .00721 -.00033 .00314 .00028
Mg        0     .5      0 .2407 .00713 .00668 .00739 .00721 -.00033 .00314 .00028
S         0 .15643    .25       .00649 .00525 .00622 .00771       0 .00279      0
O1   .17356 .04637 .40142       .01303  .0078  .0150  .0150  .00366 .00427 .00698
O2   .10079 .26961 .15372       .01129  .0111  .0101  .0147  .00108 .00782 .00429
O3        0 .63209    .25       .00972  .0091  .0109  .0094       0  .0045      0
H      .111   .695   .291         .020
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dwornikite
Download hom/dwornikite.pdf
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
_database_code_amcsd 0020995
6.8290 7.6047 7.4626 90 117.749 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .00639 .00572 .00692 .00624 -.00025 .00253 .00018
S         0 .15664    .25 .00579 .00441 .00591 .00668       0 .00229      0
O1   .17289 .04649 .40331 .01205  .0071  .0142  .0136   .0037  .0038  .0069
O2   .10307 .26994 .15466 .01011  .0095  .0095  .0135  .00135  .0071  .0043
O3        0 .63135    .25 .00883  .0079  .0103  .0082       0  .0037      0
H      .108   .694   .296   .020
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
Download hom/dwornikite.pdf
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
Locality: synthetic
_database_code_amcsd 0020996
6.8252 7.6070 7.4587 90 117.724 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .00577 .00521 .00627 .00552 -.00020 .00223 .00023
S         0 .15681    .25 .00527 .00403 .00542 .00597       0 .00201      0
O1   .17279 .04668 .40353 .01106  .0065  .0132  .0125  .00321 .00356 .00631
O2   .10339 .27006 .15477 .00926  .0089  .0086  .0122  .00120 .00657 .00377
O3        0 .63108    .25 .00810  .0076  .0092  .0076       0  .0037      0
H      .108   .695   .294   .020
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
Download hom/dwornikite.pdf
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
Locality: synthetic
_database_code_amcsd 0020997
6.8115 7.6122 7.4444 90 117.629 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .00428 .00390 .00468 .00412 -.00014 .00173 .00016
S         0 .15727    .25 .00404 .00314 .00423 .00453       0 .00159      0
O1   .17262 .04732 .40413 .00843  .0052  .0100  .0094  .00250 .00281 .00463
O2   .10428 .27059 .15519 .00703  .0067  .0066  .0094  .00068 .00512 .00264
O3        0 .63077    .25 .00631  .0060  .0070  .0061       0  .0029      0
H      .109   .695   .294   .020
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
Download hom/dwornikite.pdf
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
Locality: synthetic
_database_code_amcsd 0020998
6.8037 7.6178 7.4371 90 117.580 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ni        0     .5      0 .00292 .00272 .00320 .00283 -.00010 .00127 .00010
S         0 .15763    .25 .00284 .00228 .00297 .00321       0 .00121      0
O1   .17257 .04772 .40473 .00604  .0039  .0070  .0067  .00183 .00202 .00315
O2   .10507 .27108 .15552 .00506  .0051  .0047  .0067  .00031 .00378 .00181
O3        0 .63055    .25 .00491  .0042  .0056  .0050       0  .0022      0
H      .109   .695   .294   .020
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
Download hom/dwornikite.pdf
Le Fur Y, Coing-Boyat J, Bassi G
 
Comptes Rendus de l'Academie des Sciences Paris C262 (1966) 632-635
Structure des sulfates monohydrates, monocliniques, des metaux de transition,
MSO4*H2O (M = Mn, Fe, Co, Ni et Zn)
Locality: synthetic
_database_code_amcsd 0021019
6.827 7.595 7.400 90 116.892 90 C2/c
atom    x     y    z Biso
Ni      0    .5    0  .08
S       0  .096  .25  .31
O1   .200 -.016 .354 1.17
O2   .019  .203 .094 1.55
Wat     0  .636  .25  .85
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dwornikite
Download hom/dwornikite.pdf
Wildner M, Giester G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
The crystal structures of kieserite-type compounds.
I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
Locality: synthetic
_database_code_amcsd 0014854
6.824 7.594 7.457 90 117.79 90 C2/c
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni       0     .5     0        .0119  .0108  .0109 -.0001  .0053  .0004
S        0 .15667   .25        .0107  .0099  .0112      0  .0051      0
O1   .1724  .0469 .4031        .0125  .0185  .0174  .0039  .0060  .0066
O2   .1032  .2697 .1548        .0156  .0132  .0177  .0012  .0097  .0037
O3       0  .6316   .25        .0135  .0129  .0128      0  .0058      0
H     .094   .706  .283 .0376
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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Total number of retrieved datasets: 8
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