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Kieserite |
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Talla D, Wildner M |
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American Mineralogist 104 (2019) 1732-1749 |
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Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, |
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with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy |
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under ambient and martian temperature conditions |
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Note: Sample Mg1.00Fe0.00 |
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Locality: Synthetic |
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_database_code_amcsd 0021008 |
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6.9103 7.634 7.643 90 118.002 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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Mg 0 .5 0 .00888 .00797 .00918 .00902 -.00049 .00361 .00049 |
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S 0 .15497 .25 .00747 .00592 .00718 .00885 0 .00308 0 |
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O1 .17593 .04489 .39450 .01366 .0089 .0147 .0157 .0038 .0044 .0064 |
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O2 .09189 .26783 .14938 .01275 .0125 .0116 .0168 .00128 .0091 .0047 |
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O3 0 .63513 .25 .01115 .0108 .0119 .0110 0 .0053 0 |
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H .103 .702 .294 .033 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Kieserite |
|
Talla D, Wildner M |
| |
American Mineralogist 104 (2019) 1732-1749 |
|
Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, |
|
with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy |
|
under ambient and martian temperature conditions |
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Note: Sample Mg0.86Fe0.14 |
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Locality: Synthetic |
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_database_code_amcsd 0021009 |
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6.9379 7.6213 7.6634 90 118.138 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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Mg 0 .5 0 .862 .00896 .00807 .00934 .00883 -.00042 .00346 .00055 |
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Fe 0 .5 0 .138 .00896 .00807 .00934 .00883 -.00042 .00346 .00055 |
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S 0 .15459 .25 .00791 .00630 .00778 .00892 0 .00298 0 |
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O1 .17509 .04446 .39481 .01478 .0094 .0162 .0161 .00412 .00394 .0070 |
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O2 .09221 .26771 .15040 .01334 .0135 .0119 .0173 .00142 .0095 .00529 |
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O3 0 .63647 .25 .01221 .0117 .0134 .0118 0 .0058 0 |
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H .097 .698 .285 .032 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Kieserite |
|
Talla D, Wildner M |
| |
American Mineralogist 104 (2019) 1732-1749 |
|
Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, |
|
with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy |
|
under ambient and martian temperature conditions |
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Note: Sample Mg0.55Fe0.45 |
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Locality: Synthetic |
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_database_code_amcsd 0021010 |
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6.9889 7.6014 7.7101 90 118.304 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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Mg 0 .5 0 .55 .00961 .00857 .00971 .00995 -.00026 .00390 .00065 |
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Fe 0 .5 0 .45 .00961 .00857 .00971 .00995 -.00026 .00390 .00065 |
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S 0 .15413 .25 .00855 .00669 .00807 .01013 0 .00336 0 |
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O1 .17307 .04384 .39605 .01603 .0105 .0174 .0178 .00461 .0047 .0074 |
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O2 .09347 .26779 .15273 .01442 .0141 .0130 .0190 .00161 .0101 .00529 |
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O3 0 .63940 .25 .01308 .0122 .0139 .0133 0 .0063 0 |
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H .094 .704 .287 .036 |
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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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Kieserite |
|
Talla D, Wildner M |
| |
American Mineralogist 104 (2019) 1732-1749 |
|
Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, |
|
with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy |
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under ambient and martian temperature conditions |
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Note: T = -80 C |
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Locality: Synthetic |
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_database_code_amcsd 0021013 |
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6.8815 7.6534 7.6172 90 117.884 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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Mg 0 .5 0 .00566 .00494 .00595 .00571 -.00034 .00217 .00024 |
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S 0 .15635 .25 .00461 .00351 .00455 .00540 0 .00177 0 |
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O1 .17541 .04664 .39602 .00910 .00578 .01021 .01016 .00271 .00276 .00436 |
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O2 .09440 .26900 .15044 .00824 .00810 .00758 .01082 .00065 .00592 .00323 |
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O3 0 .63431 .25 .00757 .0070 .0083 .0075 0 .00343 0 |
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H .104 .7003 .291 .022 |
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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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Kieserite |
|
Talla D, Wildner M |
| |
American Mineralogist 104 (2019) 1732-1749 |
|
Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, |
|
with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy |
|
under ambient and martian temperature conditions |
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Note: T = -160 C |
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Locality: Synthetic |
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_database_code_amcsd 0021014 |
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6.8648 7.6684 7.6055 90 117.792 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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Mg 0 .5 0 .00431 .00388 .00445 .00431 -.00022 .00167 .00014 |
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S 0 .15710 .25 .00337 .00268 .00342 .00377 0 .00131 0 |
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O1 .17522 .04770 .39686 .00648 .00418 .00732 .00704 .00193 .00186 .00289 |
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O2 .09574 .26975 .15109 .00597 .00588 .00573 .00753 .00023 .00417 .00206 |
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O3 0 .63384 .25 .00572 .0051 .00623 .00593 0 .00259 0 |
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H .106 .6987 .290 .019 |
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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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Kieserite |
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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 0020991 |
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6.9103 7.634 7.643 90 118.002 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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Mg 0 .5 0 .00888 .00797 .00918 .00902 -.00049 .00361 .00049 |
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S 0 .15497 .25 .00747 .00592 .00718 .00885 0 .00308 0 |
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O1 .17593 .04489 .39450 .01366 .0089 .0147 .0157 .0038 .0044 .0064 |
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O2 .09189 .26783 .14938 .01275 .0125 .0116 .0168 .00128 .0091 .0047 |
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O3 0 .63513 .25 .01115 .0108 .0119 .0110 0 .0053 0 |
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H .103 .702 .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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Kieserite |
|
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 |
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implications for icy moons and Mars |
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Locality: synthetic |
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_database_code_amcsd 0020992 |
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6.8909 7.6222 7.5920 90 117.984 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 .236 .00964 .0085 .0092 .0103 -.00038 .00367 .00037 |
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Mg 0 .5 0 .764 .00964 .0085 .0092 .0103 -.00038 .00367 .00037 |
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S 0 .15535 .25 .00930 .00710 .00889 .01112 0 .00362 0 |
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O1 .17513 .04528 .39678 .0154 .0100 .0165 .0178 .0040 .0051 .0067 |
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O2 .09460 .26806 .15065 .0140 .0133 .0125 .0186 .0011 .0094 .0049 |
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O3 0 .6341 .25 .0126 .0104 .0140 .0131 0 .0052 0 |
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H .092 .688 .286 .026 |
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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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Kieserite |
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Bechtold A, Wildner M |
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European Journal of Mineralogy 28 (2016) 43-52 |
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Crystal chemistry of the kieserite-cobaltkieserite solid solution, |
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Mg1-xCox(SO4)*H2O: well-behaved oddities |
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Locality: synthetic |
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_database_code_amcsd 0020999 |
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6.910 7.634 7.643 90 118.00 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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Mg 0 .5 0 .0089 .0080 .0092 .0090 .0005 .0036 .0005 |
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S 0 .15497 .25 .0075 .0059 .0072 .0088 0 .0031 0 |
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O1 .17593 .04489 .39450 .0137 .0089 .0147 .0157 .0038 .0044 .0064 |
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O2 .09189 .26783 .14938 .0128 .0125 .0116 .0168 .0013 .0091 .0047 |
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O3 0 .63513 .25 .0111 .0107 .0119 .0110 0 .0053 0 |
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H .103 .702 .295 .0334 |
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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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Kieserite |
|
Bechtold A, Wildner M |
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European Journal of Mineralogy 28 (2016) 43-52 |
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Crystal chemistry of the kieserite-cobaltkieserite solid solution, |
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Mg1-xCox(SO4)*H2O: well-behaved oddities |
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Note: sample Mg0.76Co0.28 |
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Locality: synthetic |
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_database_code_amcsd 0021000 |
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6.929 7.623 7.641 90 118.19 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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Mg 0 .5 0 .721 .0082 .0075 .0082 .0085 .0003 .0035 .0004 |
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Co 0 .5 0 .279 .0082 .0075 .0082 .0085 .0003 .0035 .0004 |
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S 0 .15452 .25 .0074 .0058 .0069 .0089 0 .0031 0 |
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O1 .17492 .04403 .39601 .0140 .0086 .0155 .0159 .0040 .0041 .0070 |
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O2 .09304 .26733 .15049 .0128 .0126 .0115 .0170 .0012 .0092 .0050 |
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O3 0 .63606 .25 .0114 .0111 .0121 .0114 0 .0056 0 |
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H .100 .699 .288 .0381 |
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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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Kieserite |
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Bregeault J, Herpin P, Manoli J, Pannetier G |
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Bulletin de la Societe Chimique de France 1970 (1970) 4243-4248 |
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Affinement de la structure de la kieserite MgSO4*H2O |
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Locality: Gebra-Lohra mine, Germany |
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_cod_database_code 1100087 |
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_database_code_amcsd 0018262 |
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6.891 7.624 7.645 90 117.683 90 C2/c |
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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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Mg 0 .5 0 .67 .0064 .0020 .0035 -.00007 .0016 -.00002 |
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S 0 .1548 .25 .39 .0013 .0010 .0026 0 .0009 0 |
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O1 .1755 .0445 .3942 1.06 .0077 .0033 .0068 .0021 .0038 .0025 |
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O2 .0895 .2667 .1485 .98 .0071 .0034 .0063 .0000 .0045 .0021 |
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O3 0 .6366 .25 .81 .0075 .0034 .0044 0 .0026 0 |
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H .125 .708 .298 1.32 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Kieserite |
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Coing-Boyat J |
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Bulletin de la Societe Chimique de France 1971 (1971) 3863-3865 |
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Remarques sur la structure commune de MgSO4*H2O et de CoSO4*H2O |
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Locality: synthetic |
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_database_code_amcsd 0021023 |
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6.891 7.624 7.549 90 116.25 90 C2/c |
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atom x y z |
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Mg .25 .25 0 |
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S .5 .5952 .25 |
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O1 .0313 .2055 .1058 |
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O2 .1910 -.0167 .3515 |
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OW .5 .1134 .25 |
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H .077 .542 .202 |
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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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Kieserite |
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Leonhardt J, Weiss R |
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Naturwissenschaften 44 (1957) 338-339 |
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Das Kristallgitter des Kieserits MgSO4*H2O |
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Locality: Niedersachsen Potash Works, Wathlingen, Celle District, Lower Saxony, Germany |
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_database_code_amcsd 0018263 |
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6.886 7.61 7.63 90 117.72 90 C2/c |
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atom x y z |
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Mg 0 .5 0 |
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S 0 .158 .25 |
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O1 .113 .273 .167 |
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O2 .167 .043 .413 |
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Wat1 0 .64 .25 |
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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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Kieserite |
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Hawthorne F C, Groat L A, Raudsepp M, Ercit T S |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 157 (1987) 121-132 |
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Kieserite, Mg(SO4)(H2O), a titanite-group mineral |
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Locality: Wathlingen, Hanover, Germany |
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_database_code_amcsd 0014714 |
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6.891 7.624 7.645 90 117.70 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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Mg 0 .5 0 .0095 .0081 .0098 .0101 -.0005 .0038 .0004 |
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S 0 .15490 .25 .0079 .0059 .0077 .0092 0 .0029 0 |
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O1 .1761 .0447 .3943 .0146 .0093 .0156 .0171 .0037 .0046 .0065 |
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O2 .0916 .2676 .1491 .0128 .0121 .0125 .0167 .0012 .0092 .0043 |
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Ow3 0 .6353 .25 .0120 .010 .0136 .0119 0 .0047 0 |
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H .120 .693 .296 .0100 |
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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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