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Leonite |
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Hertweck B, Giester G, Libowitzky E |
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American Mineralogist 86 (2001) 1282-1292 |
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The crystal structures of the low-temperature phases of leonite-type compounds, |
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K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
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Sample: K2Mg(SO4)2.4H2O, T = 100 K |
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_database_code_amcsd 0002727 |
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11.778 9.469 9.851 90 95.26 90 P2_1/a |
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atom x y z Uiso |
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K1 .16666 .26914 .23925 .0085 |
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K2 .16772 -.25681 .25944 .0081 |
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Mg1 0 0 0 .0057 |
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Mg2 0 .5 .5 .0053 |
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S1 .20787 .50544 -.04393 .0050 |
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S2 .21302 -.00636 -.48126 .0048 |
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O1A -.1550 .3704 .1172 .0087 |
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O1B .1627 .3740 -.1116 .0094 |
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O2A .1495 .0919 -.3993 .0088 |
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O2B .1803 -.1532 -.4547 .0097 |
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O3 .1685 .0114 .0555 .0116 |
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O4 .1827 .5079 .0981 .0115 |
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O5 .1636 .5110 .4377 .0075 |
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O6 .1901 .0237 .3723 .0099 |
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Ow1A -.0353 .3398 .3598 .0079 |
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Ow1B .0451 .3424 -.3583 .0081 |
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Ow2 -.0053 .2190 -.0118 .0113 |
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Ow3 .0153 -.0103 -.2096 .0112 |
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H1A -.075 .276 .395 .022 |
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H2A -.077 .355 .282 .032 |
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H1B .076 .269 -.387 .020 |
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H2B .083 .359 -.281 .038 |
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H3A -.052 .270 .023 .030 |
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H3B .045 .270 -.036 .033 |
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H4 .068 .008 -.257 .021 |
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H5 -.042 -.012 -.265 .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) |
| |
|
Leonite |
|
Hertweck B, Giester G, Libowitzky E |
|
American Mineralogist 86 (2001) 1282-1292 |
|
The crystal structures of the low-temperature phases of leonite-type compounds, |
|
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
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Sample: K2Mg(SO4)2.4H2O, T = 170 K |
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_database_code_amcsd 0002728 |
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11.780 9.486 19.730 90 95.23 90 *I2/a |
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.25 .25 .5 |
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atom x y z Uiso |
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K1 -.16787 .26888 -.12018 .0132 |
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K2 .16701 .25821 .12922 .0124 |
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Mg1 0 -.00112 0 .0080 |
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Mg2 0 .5 .25 .0073 |
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S1 .20754 .49638 -.02192 .0074 |
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S2 .21271 .00706 -.24073 .0072 |
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O1A -.1581 .3747 .05556 .0134 |
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O1B .1600 -.3706 -.05912 .0132 |
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O2A .1504 -.0923 -.20014 .0136 |
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O2B .1784 .1527 -.22726 .0150 |
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O3 .1688 -.0009 .02694 .0186 |
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O4 .1812 .4912 .04870 .0173 |
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O5 .1641 .4918 .21902 .0113 |
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O6 .1902 .0228 .18618 .0149 |
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Ow1A .0376 .3429 -.17806 .0113 |
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Ow1B .0430 -.3403 -.18099 .0112 |
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Ow2A 0 .2185 0 .0150 |
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Ow2B 0 -.2196 0 .0187 |
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Ow3 .0142 -.0017 -.10481 .0171 |
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H1A .077 .280 -.195 .020 |
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H2A .078 .360 -.139 .037 |
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H1B .074 -.272 -.195 .021 |
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H2B .083 -.356 -.142 .033 |
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H3A .049 .271 -.015 .036 |
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H3B .050 -.274 -.015 .044 |
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H4 .065 -.015 -.129 .035 |
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H5 -.041 .007 -.132 .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) |
| |
|
Leonite |
|
Hertweck B, Giester G, Libowitzky E |
|
American Mineralogist 86 (2001) 1282-1292 |
|
The crystal structures of the low-temperature phases of leonite-type compounds, |
|
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
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Sample: K2Mg(SO4)2.4H2O, T = 293 K |
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_database_code_amcsd 0002729 |
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11.769 9.539 9.889 90 95.31 90 C2/m |
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atom x y z occ Uiso |
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K .16767 .26354 .24969 .0261 |
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Mg1 0 0 0 .0140 |
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Mg2 0 .5 .5 .0130 |
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S1 .20760 .5 -.04326 .0131 |
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S2 .21123 0 -.48090 .0130 |
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O1 .1591 .3736 -.1137 .0234 |
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O2A .1521 .0980 -.4009 .5 .0243 |
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O2B .1737 .1467 -.4516 .5 .0265 |
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O3 .1690 0 .0541 .0312 |
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O4 .1819 .5 .0974 .0316 |
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O5 .1652 .5 .4390 .0206 |
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O6 .1887 .0234 .3735 .5 .0254 |
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Ow1 .0400 .3428 -.3586 .0190 |
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Ow2 0 .2183 0 .0273 |
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Ow3 .0149 0 -.2088 .0291 |
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H1 .075 .277 -.388 .033 |
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H2 .079 .359 -.282 .041 |
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H3 .047 .271 -.027 .050 |
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H4 .068 0 -.256 .069 |
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H5 -.039 0 -.260 .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) |
| |
|
Leonite |
|
Hertweck B, Giester G, Libowitzky E |
|
American Mineralogist 86 (2001) 1282-1292 |
|
The crystal structures of the low-temperature phases of leonite-type compounds, |
|
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
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Sample: K2Mn(SO4)2.4H2O, T = 110 K |
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_database_code_amcsd 0002730 |
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12.031 9.531 9.902 90 95.02 90 P2_1/a |
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atom x y z Uiso |
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K1 .16965 .26768 .23973 .0096 |
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K2 .16992 -.25782 .25852 .0093 |
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Mn1 0 0 0 .0059 |
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Mn2 0 .5 .5 .0057 |
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S1 .20732 .50477 -.04519 .0059 |
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S2 .21252 -.00747 -.48027 .0057 |
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O1A -.1534 .3724 .1163 .0103 |
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O1B .1633 .3739 -.1112 .0112 |
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O2A .1493 .0908 -.4002 .0102 |
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O2B .1791 -.1528 -.4545 .0110 |
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O3 .1725 .0127 .0611 .0149 |
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O4 .1853 .5062 .0973 .0125 |
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O5 .1674 .5089 .4342 .0090 |
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O6 .1931 .0227 .3741 .0108 |
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Ow1A -.0342 .3316 .3537 .0094 |
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Ow1B .0431 .3347 -.3516 .0096 |
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Ow2 -.0051 .2279 -.0131 .0145 |
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Ow3 .0111 -.0103 -.2198 .0133 |
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H1A -.070 .271 .387 .020 |
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H2A -.074 .351 .275 .029 |
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H1B .074 .265 -.380 .021 |
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H2B .081 .352 -.279 .032 |
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H3A -.049 .280 .025 .031 |
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H3B .043 .274 -.037 .034 |
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H4 .060 .008 -.267 .026 |
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H5 -.044 -.014 -.271 .023 |
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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) |
| |
|
Leonite |
|
Hertweck B, Giester G, Libowitzky E |
|
American Mineralogist 86 (2001) 1282-1292 |
|
The crystal structures of the low-temperature phases of leonite-type compounds, |
|
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
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Sample: K2Mn(SO4)2.4H2O, T = 185 K |
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_database_code_amcsd 0002731 |
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12.035 9.549 19.839 90 94.99 90 *I2/a |
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.25 .25 .5 |
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atom x y z Uiso |
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K1 -.16978 .26685 -.12080 .0157 |
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K2 .17013 .25936 .12839 .0152 |
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Mn1 0 -.00086 0 .0089 |
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Mn2 0 .5 .25 .0086 |
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S1 .20701 .49730 -.02242 .0088 |
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S2 .21207 .00710 -.24013 .0087 |
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O1A -.1579 -.3747 -.05551 .0167 |
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O1B .1591 -.3718 -.05816 .0166 |
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O2A .1505 -.0926 -.20093 .0211 |
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O2B .1769 .1514 -.22669 .0230 |
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O3 .1726 -.0008 .03002 .0240 |
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O4 .1841 .4934 .04827 .0207 |
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O5 .1676 .4943 .21728 .0133 |
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O6 .1931 .0199 .18716 .0203 |
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Ow1A .0370 .3347 -.17515 .0139 |
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Ow1B .0407 -.3330 -.17715 .0137 |
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Ow2A 0 .2271 0 .0195 |
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Ow2B 0 -.2276 0 .0251 |
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Ow3 .0098 -.0021 -.10993 .0208 |
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H1A .074 .277 -.192 .031 |
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H2A .076 .352 -.137 .030 |
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H1B .071 -.271 -.192 .030 |
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H2B .082 -.349 .138 .029 |
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H3A .043 .276 -.016 .040 |
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H3B .043 -.278 -.015 .041 |
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H4 .056 -.013 -.134 .035 |
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H5 -.046 .006 -.136 .042 |
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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) |
| |
|
Leonite |
|
Hertweck B, Giester G, Libowitzky E |
|
American Mineralogist 86 (2001) 1282-1292 |
|
The crystal structures of the low-temperature phases of leonite-type compounds, |
|
K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) |
|
Sample: K2Mn(SO4)2.4H2O, T = 293 K |
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_database_code_amcsd 0002732 |
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12.017 9.594 9.949 90 95.03 90 C2/m |
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atom x y z occ Uiso |
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K .17022 .26326 .24936 .0281 |
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Mn1 0 0 0 .0154 |
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Mn2 0 .5 .5 .0149 |
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S1 .20695 .5 -.04418 .0150 |
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S2 .21077 0 -.47979 .0150 |
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O1 .1588 .3743 -.1129 .0274 |
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O2A .1519 .0973 -.4013 .5 .0271 |
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O2B .1723 .1457 -.4520 .5 .0299 |
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O3 .1728 0 .0594 .0381 |
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O4 .1841 .5 .0965 .0355 |
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O5 .1686 .5 .4354 .0232 |
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O6 .1918 .0236 .3754 .5 .0289 |
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Ow1 .0387 .3351 -.3519 .0222 |
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Ow2 0 .2267 0 .0333 |
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Ow3 .0104 0 -.2194 .0329 |
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H1 .072 .276 -.379 .033 |
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H2 .079 .349 -.274 .037 |
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H3 .043 .272 -.030 .041 |
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H4 .061 0 -.257 .060 |
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H5 -.041 0 -.272 .058 |
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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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Leonite |
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Anspach H |
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Zeitschrift fur Kristallographie 101 (1939) 39-77 |
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Die Struktur des Mn-Leonit |
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_cod_database_code 1011041 |
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_database_code_amcsd 0017943 |
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11.986 9.57 9.95 90 85 90 C2/m |
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atom x y z |
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Mn1 0 0 0 |
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Mn2 0 .5 .5 |
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K1 .306 0 .075 |
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K2 .18 0 .6 |
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S1 .166 .25 .25 |
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O1 .166 .34 .125 |
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O2 .166 .34 .375 |
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O3 .063 .16 .27 |
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O4 .284 .16 .25 |
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O5 .104 .2 -.028 |
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O6 .415 .2 .445 |
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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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