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Krausite |
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Graeber E J, Morosin B, Rosenzweig A |
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American Mineralogist 50 (1965) 1929-1936 |
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The crystal structure of krausite, KFe(SO4)2.H2O |
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_database_code_amcsd 0000141 |
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7.908 5.152 8.988 90 102.75 90 P2_1/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .0892 1/4 .2277 .005047 .014844 .002576 0 -.000662 0 |
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K .5742 1/4 .2153 .005913 .029480 .005914 0 -.000518 0 |
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S1 .6655 1/4 .6533 .005350 .015042 .003806 0 -.001080 0 |
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S2 .1555 1/4 .8812 .003854 .013186 .002811 0 -.000447 0 |
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O1 .7401 1/4 .5191 .011767 .026231 .004694 0 .000828 0 |
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O2 .4779 1/4 .6242 .006022 .023029 .011516 0 -.004466 0 |
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O3 .7279 .0171 .7494 .009825 .018894 .005960 .007348 .003335 .005015 |
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O4 .0602 1/4 .0057 .008422 .019553 .001926 0 -.001534 0 |
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O5 .3416 1/4 .9363 .005442 .032560 .005400 0 -.002743 0 |
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O6 .1015 .0154 .7848 .008859 .018442 .005465 -.006134 .004204 -.005087 |
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Wat7 .1069 1/4 .4563 .011313 .028199 .003208 0 .000163 0 |
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Yavapaiite |
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Graeber E J, Rosenzweig A |
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American Mineralogist 56 (1971) 1917-1933 |
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The crystal structures of yavapaiite, KFe(SO4)2, and goldichite, KFe(SO4)2.4H2O |
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_database_code_amcsd 0000263 |
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8.152 5.153 7.877 90 94.90 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe 0 0 0 .002729 .003389 .003734 0 -.000275 0 |
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K 0 0 .5 .008451 .016759 .004262 0 .001137 0 |
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S .3701 0 .2020 .002539 .002919 .002841 0 .000392 0 |
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O1 .2371 0 .0626 .002842 .010168 .005764 0 -.000745 0 |
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O2 .3128 0 .3702 .007352 .021560 .004221 0 .002706 0 |
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O3 .4741 .2325 .1807 .005722 .006590 .005885 -.003285 -.001608 .002658 |
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Goldichite |
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Graeber E J, Rosenzweig A |
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American Mineralogist 56 (1971) 1917-1933 |
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The crystal structures of yavapaiite, KFe(SO4)2, and goldichite, KFe(SO4)2.4H2O |
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_database_code_amcsd 0000264 |
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10.387 10.486 9.086 90 101.68 90 P2_1/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .7065 .1346 .0935 .002150 .002092 .002652 -.000117 -.000028 -.000054 |
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K .6777 .7435 .0351 .005219 .004547 .007578 -.000281 .002458 .021436 |
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S1 .5253 .4807 .2831 .001643 .001682 .002147 -.000305 .000028 -.000080 |
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S2 .8898 .3030 .3557 .001498 .002228 .002779 .000094 .000055 .000268 |
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O1 .9208 .4235 .2907 .004808 .004388 .008431 .001008 .001188 -.001313 |
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O2 .8639 .1735 .0084 .002368 .006730 .003821 .000094 .000138 .001045 |
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Wat3 .8135 -.0152 .1957 .003238 .003069 .004958 .000750 .000635 .000697 |
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O4 .5910 .5058 .1598 .003987 .003433 .004137 -.000539 .000939 -.000563 |
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O5 .6259 .0214 -.0728 .003866 .003388 .003000 -.000141 -.000359 -.000670 |
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Wat6 .8376 .5325 -.0109 .006379 .005684 .006063 .000656 .000304 .000938 |
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O7 .5621 .0938 .2048 .003165 .002524 .004768 -.000984 .001409 -.000616 |
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O8 .4500 .3639 .2648 .003648 .003115 .005779 .000773 .000193 -.000027 |
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Wat9 .8210 .6785 .3321 .006137 .005093 .009852 -.000117 .002293 .001018 |
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Wat10 .6066 .2910 -.0027 .004083 .002751 .003821 -.000703 .000442 -.000804 |
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O11 .9943 .2114 .3649 .003528 .005934 .007736 .002016 .000083 -.001099 |
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O12 .7644 .2508 .2651 .002851 .003729 .004231 .000984 .000110 .001768 |
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Cuprosklodowskite |
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Rosenzweig A, Ryan R R |
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American Mineralogist 60 (1975) 448-453 |
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Refinement of the crystal structure of cuprosklodowskite, |
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Cu[(UO2)2(SiO3OH)2]*6(H2O) |
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Note: y(U) was changed to reproduce reported bond lengths |
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Locality: Musonoi mine, Kolwezi, Katanga, Zaire |
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_database_code_amcsd 0000461 |
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7.052 9.267 6.655 109.2 89.8 110 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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U .2589 .0210 .6397 .0041 .0061 .0027 .0057 .0019 .0039 |
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Cu .5 .5 0 .0158 .0079 .0178 .0061 .0045 .0099 |
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Si .7735 .0526 .8573 .0069 .0068 .0039 .0063 .0030 .0043 |
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O1 .3530 .2350 .6990 .0095 .0101 .0101 .0077 .0023 .0123 |
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O2 .8380 .1930 .4160 .0073 .0136 .0103 .0130 .0045 .0131 |
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O3 .5880 .0240 .6920 .0098 .0125 .0026 .0147 .0066 .0089 |
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O4 .9320 .0180 .6900 .0060 .0108 .0036 .0104 .0041 .0078 |
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O5 .8630 .2480 .0210 .0200 .0084 .0081 .0118 .0041 .0060 |
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O6 .7200 .9400 .0020 .0075 .0088 .0029 .0090 .0023 .0040 |
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Wat7 .4650 .3740 .1930 .0248 .0074 .0144 .0018 -.004 .0053 |
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Wat8 .2310 .5130 .0520 .0178 .0131 .0574 .0150 .0206 .0288 |
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Wat9 .2010 .4820 .4990 .0256 .0173 .0314 .0094 .0052 .0124 |
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Vandenbrandeite |
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Rosenzweig A, Ryan R R |
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Crystal Structure Communications 6 (1977) 53-56 |
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Vandenbrandeite CuUO2(OH)4 |
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Locality: Musonoi Mine, Kolwezi, Katanga, Zaire |
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_database_code_amcsd 0012336 |
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7.855 5.449 6.089 91.44 101.90 89.2 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .0921 .3509 .8548 .0051 .0063 .0062 .0016 .0020 .0018 |
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U .2840 .1477 .3422 .0038 .0052 .0055 .0002 .0008 .0015 |
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OH1 .394 .406 .269 .0081 .0073 .0086 -.0034 .0009 -.0017 |
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O2 .836 .113 .604 .0048 .0083 .0089 -.0009 .0004 .0004 |
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OH3 .219 .049 .945 .0060 .0080 .0027 .0016 .0011 .0007 |
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OH4 .010 .316 .138 .0054 .0053 .0069 .0013 .0025 .0036 |
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O5 .517 .899 .304 .0034 .0183 .0052 .0012 -.0003 .0011 |
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OH6 .186 .402 .599 .0073 .0100 .0060 .0019 .0035 .0053 |
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Sklodowskite |
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Ryan R R, Rosenzweig A |
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Crystal Structure Communications 6 (1977) 611-615 |
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Sklodowskite, MgO*2UO3*2SiO2*7H2O |
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Locality: Naica, Chihuahua, Mexico |
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_database_code_amcsd 0012337 |
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17.3820 7.047 6.610 90 105.9 90 C2/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .5 .5 .5 .014 .021 .019 0 .003 0 |
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U .25763 0 .13838 .0144 .0080 .0084 0 .0037 0 |
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Si .2836 .5 .3578 .0167 .0088 .0081 0 .0049 0 |
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O1 .3639 0 .1619 .019 .019 .026 0 .008 0 |
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O2 .1509 0 .1065 .017 .028 .017 0 .002 0 |
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O3 .2263 .5 .5119 .018 .018 .009 0 .004 0 |
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O4 .3779 .5 .5016 .017 .032 .016 0 .006 0 |
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O5 .2673 .3243 .1917 .031 .008 .008 .002 .007 .000 |
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Wat .5196 .3029 .7301 .033 .142 .155 .008 .013 .126 |
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OH3 .5760 0 .2275 .031 .059 .048 0 .012 0 |
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Kasolite |
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Rosenzweig A, Ryan R R |
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Crystal Structure Communications 6 (1977) 617-621 |
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Kasolite, Pb(UO2)(SiO4)*H2O |
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_database_code_amcsd 0012338 |
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6.704 6.932 13.252 90 104.22 90 P2_1/c |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .0754 .0706 .3821 0 .0199 .0240 .0183 .0040 .0049 .0076 |
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U .4757 .2299 .1788 0 .0135 .0069 .0042 .0002 .0013 .0005 |
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Si .4079 .7120 .0734 0 .012 .007 .003 .000 .001 -.001 |
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O1 .205 .276 .166 1.0 |
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O2 .250 .697 .300 1.0 |
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O3 .180 .638 .026 1.1 |
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O4 .451 .267 .009 1.1 |
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O5 .526 .559 .167 .6 |
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O6 .418 .903 .147 1.0 |
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Wat7 .940 .932 .089 3.7 |
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Chloroxiphite |
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Finney J J, Graeber E J, Rosenzweig A, Hamilton R D |
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Mineralogical Magazine 41 (1977) 357-361 |
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The structure of chloroxiphite, Pb3CuO2(OH)2Cl2 |
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Locality: Mendip Hills, Somerset, England |
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_database_code_amcsd 0014466 |
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10.458 5.750 6.693 90 97.79 90 P2_1/m |
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atom x y z Biso |
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Pb1 .2167 .25 .4606 1.43 |
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Pb2 .5502 .25 .3432 1.34 |
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Pb3 .6741 .25 .8673 1.35 |
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Cu 0 0 0 1.61 |
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O1 .366 .00 .386 1.32 |
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OH1 .907 .25 .832 1.37 |
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OH2 .126 .25 .086 1.72 |
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Cl1 .378 .25 .868 1.68 |
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Cl2 .886 .25 .321 2.44 |
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