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KNa5[(UO2)(SO4)4](H2O) |
| |
Hayden L A, Burns P C |
 |
The Canadian Mineralogist 40 (2002) 211-216 |
|
The sharing of an edge between a uranyl pentagonal bipyramid and sulfate |
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tetrahedron in the structure of KNa5[(UO2)(SO4)4](H2O) |
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_database_code_amcsd 0005767 |
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16.917 5.5999 35.340 90 90.437 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) |
|
U(1) .0647 .8543 .1305 .016 .018 .015 .014 .002 .001 .000 |
|
S(1) -.0406 .0541 .1942 .015 .016 .014 .015 .002 .001 -.002 |
|
S(2) .1984 .5947 .2005 .016 .017 .013 .017 .002 -.002 .000 |
|
S(3) .1933 .7487 .0523 .017 .019 .016 .017 .003 .004 -.001 |
|
S(4) .4475 .2307 .0481 .019 .024 .016 .017 .003 -.004 -.002 |
|
K(1) .2912 .4352 .1183 .058 .076 .064 .033 .033 .011 .019 |
|
Na(1) 1/4 1/4 0 .026 .027 .018 .034 .002 .010 -.005 |
|
Na(2) .1505 .1040 .2363 .024 .023 .021 .026 -.002 -.001 -.002 |
|
Na(3) 0 .5794 1/4 .025 .021 .019 .034 0 -.005 0 |
|
Na(4) .0754 .2841 .0505 .028 .026 .024 .034 .007 .003 .000 |
|
Na(5) .3320 .0635 .1992 .031 .025 .020 .047 .001 -.003 .004 |
|
Na(6) .3883 .7097 .0239 .029 .033 .023 .029 -.003 -.006 .000 |
|
O(1) .1107 .1286 .1179 .023 .028 .017 .024 -.004 .003 .001 |
|
O(2) -.0799 .8675 .2161 .021 .026 .017 .021 -.002 .004 .002 |
|
O(3) .1433 .6697 .0848 .023 .035 .014 .019 .006 .011 .002 |
|
O(4) .0461 .0109 .1948 .019 .013 .026 .020 .002 -.001 -.006 |
|
O(5) .0194 .5831 .1421 .022 .024 .016 .026 -.001 .003 .001 |
|
O(6) .2423 .3830 .1894 .032 .032 .026 .038 .016 -.001 -.006 |
|
O(7) -.0608 .2872 .2092 .022 .027 .014 .024 .003 .003 -.008 |
|
O(8) .1670 .9805 .0382 .023 .031 .013 .025 .005 .008 .003 |
|
O(9) -.0613 .0317 .1533 .019 .019 .024 .015 .006 -.001 -.003 |
|
O(10) .4566 -.0125 .0625 .022 .028 .013 .024 .002 -.002 .000 |
|
O(11) .1826 .5672 .0230 .024 .031 .020 .020 .005 .002 -.006 |
|
O(12) .3643 .2993 .0461 .035 .024 .024 .056 .008 -.013 -.001 |
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O(13) .4871 .4027 .0754 .023 .032 .013 .024 .002 -.009 -.003 |
|
O(14) .1292 .5256 .2223 .025 .022 .023 .031 -.003 .005 .007 |
|
O(15) .1746 .7283 .1657 .026 .023 .034 .021 .003 -.002 .007 |
|
O(16) .2475 .7587 .2229 .026 .029 .020 .028 -.007 -.007 .000 |
|
O(17) .2751 .7595 .0653 .033 .019 .033 .047 .003 -.005 -.004 |
|
O(18) .4841 .2590 .0113 .037 .055 .034 .021 -.012 .008 -.003 |
|
Wat19 -.1564 .4891 .1311 .046 .039 .055 .044 -.005 .009 -.009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zippeite |
 |
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
_database_code_amcsd 0005847 |
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8.7524 13.9197 17.6972 90 104.178 90 C2 |
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atom x y z occ Uiso |
|
U(1) .9214 .2948 .0865 .020 |
|
U(2) .5874 .3261 -.0871 .018 |
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U(3) -.0782 .3345 -.4132 .013 |
|
U(4) -.4120 .3028 -.5868 .014 |
|
S(1) .2494 .3099 -.2488 .020 |
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S(2) -.7500 .3230 -.7491 .016 |
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K(1) .3091 .5603 -.0830 .39 .063 |
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K(1A) .2957 .5583 -.1366 .52 .035 |
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K(2) .1985 .5689 -.3673 .70 .049 |
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K(2A) .1852 .5686 -.4274 .30 .028 |
|
K(3) .6781 .0586 .1270 .33 .029 |
|
K(3A) .6138 .0628 .0442 .47 .106 |
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O(1) -.8216 .3818 -.7007 .022 |
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O(2) -.6749 .3819 -.7981 .020 |
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O(3) .3662 .3742 -.1956 .021 |
|
O(4) .1382 .3781 -.2990 .018 |
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O(5) -.8684 .2635 -.7974 .021 |
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O(6) .3205 .2453 -.2995 .023 |
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O(7) .1742 .2406 -.2021 .021 |
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O(8) .8498 .3066 -.0444 .014 |
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O(9) -.6282 .2652 -.6978 .021 |
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O(10) .9157 .4190 .1107 .029 |
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O(11) -.1442 .2958 -.5441 .016 |
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O(12) .5819 .4533 -.0655 .023 |
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O(13) -.3534 .3199 -.4559 .012 |
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O(14) .5840 .2016 -.1150 .031 |
|
O(15) -.0818 .2104 -.3892 .024 |
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O(16) -.4171 .4253 -.6171 .030 |
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O(17) .9152 .1707 .0676 .030 |
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OH(18) .6447 .2730 .0469 .021 |
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O(19) -.4073 .1831 -.5610 .025 |
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O(20) -.0642 .4614 -.4287 .022 |
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Wat(21) -.1515 .0604 -.5940 .061 |
|
Wat(22) .5217 .5611 -.2500 .090 |
|
Wat(23) .0246 .5619 -.2549 .049 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample : Sodium-zippeite |
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_database_code_amcsd 0005848 |
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17.6425 14.6272 17.6922 90 104.461 90 P2_1/n |
|
atom x y z Uiso |
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U(1) .3384 .2323 .8377 .010 |
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U(2) .2603 .2250 .0096 .011 |
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U(3) .5845 .2563 .8347 .010 |
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U(4) .4991 .2649 .0090 .012 |
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U(5) .8257 .2186 .8326 .013 |
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U(6) .7569 .2168 .0078 .011 |
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U(7) .9965 .2462 .0091 .011 |
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U(8) .0942 .2516 .8329 .011 |
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S(1) .9213 .2450 .1710 .008 |
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S(2) .6668 .2487 .6713 .015 |
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S(3) .1714 .2458 .6728 .013 |
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S(4) .4235 .2604 .1748 .018 |
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Na(1) .1795 .0228 .6734 .036 |
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Na(2) .9192 .0301 .1916 .032 |
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Na(3) .6705 .0145 .6745 .048 |
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Na(4) .2360 .5004 .9907 .046 |
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Na(5) .5668 -.0291 .8133 .043 |
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O(1) .7185 .2377 .8768 .013 |
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O(2) .2214 .2414 .8779 .015 |
|
O(3) .5954 .3747 .8692 .018 |
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O(4) .8686 .2377 .9643 .022 |
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O(5) .8847 .3117 .2154 .020 |
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O(6) .2309 .1871 .7202 .019 |
|
O(7) .2080 .3149 .6278 .018 |
|
O(8) .1337 .3037 .7213 .018 |
|
O(9) .8624 .1848 .1255 .018 |
|
O(10) .4729 .2450 .8799 .013 |
|
O(11) .3696 .2623 .9683 .017 |
|
O(12) .7085 .3147 .6280 .019 |
|
O(13) .3322 .3496 .8121 .021 |
|
O(14) .7216 .1851 .7140 .018 |
|
O(15) .0930 .3690 .8667 .019 |
|
O(16) .3818 .3255 .2160 .018 |
|
O(17) .4992 .1524 .0407 .020 |
|
O(18) .6358 .3083 .7252 .021 |
|
O(19) .4799 .2056 .2320 .022 |
|
O(20) .9539 .3039 .1201 .018 |
|
O(21) .9804 .1908 .2249 .020 |
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O(22) .3661 .2008 .1288 .020 |
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O(23) .1148 .1929 .6148 .019 |
|
O(24) .7546 .0975 .9966 .019 |
|
O(25) .4589 .3169 .1254 .027 |
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O(26) .9956 .3654 .9767 .022 |
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O(27) .5049 .3870 .9916 .015 |
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O(28) .2428 .3411 .0265 .017 |
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O(29) .6054 .2019 .6121 .024 |
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O(30) .2683 .1061 .9993 .020 |
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O(31) .0030 .1325 .0427 .027 |
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O(32) .8352 .3363 .8148 .024 |
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O(33) .3437 .1129 .8528 .023 |
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O(34) .5723 .1437 .7954 .024 |
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O(35) .8250 .0989 .8445 .021 |
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O(36) .7528 .3328 .0271 .030 |
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O(37) .0887 .1392 .7969 .016 |
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OH(1) .6162 .2071 .9681 .012 |
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OH(2) .1173 .2052 .9675 .010 |
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OH(3) .9711 .2025 .8742 .015 |
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Wat(1) .7841 .0122 .1888 .031 |
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Wat(2) .0414 .0053 .6702 .027 |
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Wat(3) .6972 -.0229 .8079 .036 |
|
Wat(4) .5305 .0063 .6683 .031 |
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Wat(5) .0480 .0022 .1788 .051 |
|
Wat(6) .1412 -.0129 .5355 .038 |
|
Wat(7) .1204 .5020 .0309 .034 |
|
Wat(8) .5990 .0173 .9523 .042 |
|
Wat(9) .3089 .0227 .6512 .033 |
|
Wat(10) .8885 -.0189 .0471 .033 |
|
Wat(11) .7943 .0069 .6457 .041 |
|
Wat(12) .4353 -.0215 .8036 .043 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: SZIPPNH4I |
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_database_code_amcsd 0005849 |
|
8.6987 14.166 17.847 90 104.117 90 C2/m |
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atom x y z Uiso |
|
U(1) .6663 .2319 .3347 .011 |
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U(2) .3339 .2681 .1654 .011 |
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S(1) 0 .2549 0 .020 |
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S(2) 0 .2361 1/2 .007 |
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NH4(1) .7250 1/2 .5051 .029 |
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NH4(2) .3040 0 .0118 .026 |
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NH4(3) .5490 0 .1598 .036 |
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NH4(4) .4490 1/2 .3265 .022 |
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O(1) -.1139 .1755 .4461 .012 |
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O(2) -.1234 .3177 -.0481 .024 |
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O(3) .4020 .2433 .2947 .018 |
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O(4) -.0690 .1929 .0488 .021 |
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O(5) -.0771 .2973 .5474 .015 |
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O(6) .6000 .2395 .2053 .008 |
|
O(7) .6560 .1050 .3197 .021 |
|
O(8) .3530 .3950 .1786 .019 |
|
O(9) .3090 .1461 .1381 .021 |
|
O(10) .6830 .3549 .3581 .021 |
|
Wat(11) .9370 1/2 .4011 .033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: SZIPPNH4II |
|
_database_code_amcsd 0005850 |
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14.2520 8.7748 17.1863 90 90 90 Cmca |
|
atom x y z Uiso |
|
U(1) .2325 .1268 .4138 .014 |
|
S(1) 1/4 .3812 1/4 .021 |
|
O(1) .2434 .3756 .4552 .037 |
|
O(2) .3086 .4696 .3003 .032 |
|
O(3) .1868 .2814 .2993 .020 |
|
O(4) .1070 .1244 .4313 .029 |
|
O(5) .3527 .1286 .3862 .035 |
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NH4(1) 0 .1350 .2504 .091 |
|
NH4(2) 0 -.1650 .4030 .119 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Magnesium-zippeite |
|
_database_code_amcsd 0005851 |
|
8.6514 14.1939 17.7211 90 104.131 90 C2/m |
|
atom x y z Uiso |
|
U(1) .6671 .2324 .3349 .009 |
|
U(2) .3329 .2674 .1651 .010 |
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S(1) 0 .2600 0 .006 |
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S(2) 0 .2552 1/2 .011 |
|
Mg(1) .6898 1/2 .3783 .027 |
|
Mg(2) .3070 0 .1290 .019 |
|
O(1) .8791 .1883 .4509 .020 |
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O(2) -.1198 .3168 -.0505 .014 |
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O(3) .3960 .2399 .2944 .007 |
|
O(4) -.0757 .1960 .0475 .015 |
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O(5) .9339 .3130 .5515 .016 |
|
O(6) .6010 .2423 .2052 .011 |
|
O(7) .6558 .1083 .3186 .017 |
|
O(8) .3420 .3936 .1813 .020 |
|
O(9) .3156 .1438 .1369 .021 |
|
O(10) .6855 .3568 .3633 .016 |
|
Wat(11) .7023 1/2 .4884 .028 |
|
Wat(12) .3460 0 .0103 .046 |
|
Wat(13) .5522 0 .1564 .034 |
|
Wat(14) .4602 1/2 .3210 .031 |
|
Wat(15) .9320 1/2 .3873 .029 |
|
Wat(16) .1713 0 .2384 .046 |
|
Wat(17) .0661 0 .0749 .033 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Zinc-zippeite |
|
_database_code_amcsd 0005852 |
|
8.6437 14.1664 17.701 90 104.041 90 C2/m |
|
atom x y z Uiso |
|
U(1) .6667 .2320 .3347 .017 |
|
U(2) .3332 .2682 .1650 .016 |
|
S(1) 0 .2638 0 .032 |
|
S(2) 0 .2508 1/2 .006 |
|
Zn(1) .6907 1/2 .3768 .033 |
|
Zn(2) .3095 0 .1207 .039 |
|
O(1) .8760 .1891 .4526 .015 |
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O(2) -.1150 .3206 -.0541 .027 |
|
O(3) .3950 .2391 .2947 .020 |
|
O(4) -.0750 .1982 .0488 .017 |
|
O(5) .9320 .3155 .5500 .024 |
|
O(6) .6030 .2392 .2058 .016 |
|
O(7) .6470 .1046 .3186 .023 |
|
O(8) .3400 .3930 .1825 .027 |
|
O(9) .3260 .1417 .1387 .017 |
|
O(10) .6990 .3560 .3688 .024 |
|
Wat(11) .7130 1/2 .4919 .026 |
|
Wat(12) .3500 0 .0089 .035 |
|
Wat(13) .5510 0 .1546 .024 |
|
Wat(14) .4540 1/2 .3217 .037 |
|
Wat(15) .9350 1/2 .3903 .032 |
|
Wat(16) .1730 0 .2412 .045 |
|
Wat(17) .0680 0 .0762 .031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: Cobalt-zippeite |
|
_database_code_amcsd 0005853 |
|
8.650 14.252 17.742 90 104.092 90 C2/m |
|
atom x y z Uiso |
|
U(1) .6674 .2317 .3353 .019 |
|
U(2) .3337 .2684 .1654 .010 |
|
S(1) 0 .2467 0 .020 |
|
S(2) 0 .2400 1/2 .020 |
|
Co(1) .6940 1/2 .3737 .031 |
|
Co(2) .3080 0 .1261 .029 |
|
O(1) -.8770 .1790 .4520 .022 |
|
O(2) -.1150 .3120 -.0490 .013 |
|
O(3) .3920 .2400 .2915 .032 |
|
O(4) -.0760 .1992 .0535 .012 |
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O(5) .9430 .3145 .5459 .014 |
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O(6) .6010 .2414 .2035 .006 |
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O(7) .6640 .1098 .3190 .015 |
|
O(8) .3520 .3905 .1830 .028 |
|
O(9) .3100 .1445 .1400 .016 |
|
O(10) .6820 .3527 .3680 .020 |
|
Wat(11) .7130 1/2 .5010 .060 |
|
Wat(12) .3340 0 .0140 .044 |
|
Wat(13) .5590 0 .1560 .032 |
|
Wat(14) .4600 1/2 .3230 .017 |
|
Wat(15) .9350 1/2 .3860 .036 |
|
Wat(16) .1610 0 .2350 .060 |
|
Wat(17) .0630 0 .0726 .020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zippeite |
|
Burns P C, Deely K M, Hayden L A |
|
The Canadian Mineralogist 41 (2003) 687-706 |
|
The crystal chemistry of the zippeite group |
|
Sample: SZIPPMg |
|
_database_code_amcsd 0005854 |
|
8.6457 17.2004 18.4642 90 102.119 90 P2_1/c |
|
atom x y z Uiso |
|
U(1) .3788 .5738 .2579 .011 |
|
U(2) .1205 .4062 .2373 .011 |
|
U(3) -.1358 .5746 .2292 .011 |
|
U(4) .6337 .4055 .2652 .011 |
|
Mg(1) .2070 .3953 .4503 .021 |
|
Mg(2) .2791 .6082 .0461 .019 |
|
S(1) .6218 .7404 .2421 .014 |
|
S(2) .1207 .7403 .2393 .016 |
|
O(1) .7585 .3084 .7116 .023 |
|
O(2) .3755 .4449 .2480 .014 |
|
O(3) .6240 .5331 .2437 .019 |
|
O(4) .3277 .5966 .1589 .019 |
|
O(5) .0749 .4163 .1369 .016 |
|
O(6) .1634 .3857 .3356 .017 |
|
O(7) -.0430 .2869 .2115 .020 |
|
O(8) .1253 .5347 .2490 .016 |
|
O(9) .4269 .5612 .3579 .017 |
|
O(10) -.0910 .6035 .3250 .016 |
|
O(11) .5910 .3721 .1698 .018 |
|
O(12) .8078 .2924 .3077 .022 |
|
O(13) .5047 .7908 .1951 .021 |
|
O(14) .7371 .7900 .2925 .021 |
|
O(15) .6773 .4262 .3644 .019 |
|
O(16) .8759 .4462 .2473 .015 |
|
O(17) -.1802 .5573 .1312 .018 |
|
O(18) .0071 .6891 .1910 .018 |
|
O(19) .6983 .6933 .1929 .021 |
|
O(20) .5485 .6898 .2907 .019 |
|
Wat(21) .2289 .6217 -.0653 .025 |
|
Wat(22) .2624 .3983 .5625 .025 |
|
Wat(23) -.0281 .3738 .4620 .039 |
|
Wat(24) .2604 .2781 .4460 .035 |
|
Wat(25) .5069 .5729 .0387 .037 |
|
Wat(26) .3551 .7212 .0589 .032 |
|
Wat(27) .0114 .2414 .0667 .050 |
|
Wat(28) .2000 .4932 .0298 .029 |
|
Wat(29) .4470 .4253 .4573 .036 |
|
Wat(30) .1485 .5127 .4378 .037 |
|
Wat(31) .0460 .6409 .0460 .030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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