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Queitite |
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Hess H, Keller P |
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Zeitschrift fur Kristallographie 151 (1980) 287-299 |
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Die kristallstruktur von queitit, Pb4Zn2[SO4|SiO4|Si2O7] |
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Locality: Tsumeb mine, Namibia |
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_database_code_amcsd 0010825 |
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11.362 5.266 12.655 90 108.16 90 P2_1 |
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atom x y z Biso |
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Pb1 .1508 0 .2167 1.04 |
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Pb2 .1836 .0153 .8712 .95 |
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Pb3 .5434 .0442 .8867 .93 |
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Pb4 .7324 .3885 .4377 1.27 |
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Zn1 .9195 .0088 .3540 .52 |
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Zn2 .6393 -.0211 .6125 .61 |
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S .8526 -.0067 .9675 .87 |
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Si1 .9225 .0196 .6245 .41 |
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Si2 .4855 -.0183 .3443 .48 |
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Si3 .6384 .0580 .1829 .4 |
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O1 .8944 -.0142 .0900 .80 |
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O2 .6023 .0721 .4527 .91 |
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O3 .3449 .2591 .8433 1.19 |
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O4 .2359 .2764 .0721 .36 |
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O5 .7811 .2315 .9317 1.14 |
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O6 .9562 -.0319 .9214 .84 |
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O7 .5277 .1791 .6680 .68 |
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O8 .8074 .1332 .6629 .68 |
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O9 .0632 .2165 .3526 .88 |
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O10 .3591 .1228 .3477 1.39 |
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O11 .0499 .1747 .6887 .55 |
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O12 .5954 .2323 .0708 .69 |
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O13 .7606 .1906 .2732 .78 |
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O14 .8852 .0945 .4907 .89 |
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O15 .5224 .0907 .2357 1.34 |
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Prosperite |
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Keller P, Riffel H, Hess H |
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Zeitschrift fur Kristallographie 158 (1982) 33-42 |
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Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4] |
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Locality: Tsumeb, Nambia |
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_database_code_amcsd 0010846 |
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19.2380 7.731 9.765 90 104.47 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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Ca .0913 .2638 .3964 0.56 .0004 .0036 .0011 -.0005 .0001 .0005 |
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Zn1 .3957 .4121 .2918 1.22 .0014 .0042 .0028 -.0012 .0013 -.0011 |
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Zn2 .2859 .0716 .0130 0.57 .0005 .0023 .0016 .0001 .0002 .0001 |
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As1 .2435 .2422 .2952 0.46 .0003 .0021 .0014 .0000 .0002 .0000 |
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As2 .4379 .2776 .0154 0.53 .0004 .0023 .0016 .0000 .0003 .0002 |
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O1 .1876 .3941 .3311 0.72 .0003 .0037 .0027 .0002 .0002 -.0015 |
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O2 .4149 .4430 .1073 1.06 .0010 .0040 .0024 .0003 .0009 -.0003 |
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O3 .2313 .2194 .1199 0.74 .0008 .0034 .0015 .0005 .0005 .0002 |
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O4 .3934 .0949 .0288 1.03 .0004 .0034 .0050 .0000 .0003 .0019 |
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O5 .2174 .0587 .3594 1.03 .0008 .0048 .0031 .0000 .0004 .0015 |
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O6 .0711 .1525 .1529 1.06 .0012 .0037 .0020 .0001 .0004 .0007 |
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O7 .3302 .2832 .3749 0.84 .0003 .0061 .0019 -.0004 -.0001 .0002 |
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O8 .4735 .2382 .4192 1.05 .0004 .0047 .0034 -.0001 .0004 .0004 |
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Wat9 0 .4509 .25 1.52 .0011 .0046 .0034 0 -.0004 0 |
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Arthurite |
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Keller P, Hess H |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 133 (1978) 291-302 |
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Die kristallstruktur von arthurit, CuFe2[(H2O)4|(OH)2|(AsO4)2] |
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_database_code_amcsd 0014708 |
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10.189 9.649 5.598 90 92.16 90 P2_1/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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Cu 0 0 0 .74 .001254 .002041 .007829 -.000611 .001097 -.000973 |
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Fe .45483 .13574 .34185 .43 .001085 .001155 .003355 .000076 .000132 .000000 |
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As .29597 .42823 .34200 .46 .000892 .001343 .003994 .000076 .000263 .000046 |
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O1 .3976 .4859 .1243 .63 .001350 .002041 .004554 -.000458 .000790 -.000371 |
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O2 .3554 .4898 .6082 .69 .002363 .001477 .005033 -.000076 -.000790 -.000371 |
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O3 .1464 .4928 .2807 .97 .001326 .003652 .008229 .000865 .000658 .001204 |
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O4 .2946 .2535 .3322 .69 .001568 .001369 .007270 .000204 .000044 -.000232 |
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OH .5411 .2330 .0751 .81 .002074 .001826 .006072 .000356 .000439 .001251 |
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Wat1 .1315 -.1195 .3268 1.84 .003641 .006659 .013182 -.001501 .000219 -.001251 |
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Wat2 .0486 .1761 .1549 1.80 .002653 .003625 .024846 -.000916 .001010 -.004493 |
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Koritnigite |
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Keller P, Hess H, Riffel H |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 138 (1980) 316-332 |
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Die kristallstruktur von koritnigit, Zn[H2O|HOAsO3] |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0014711 |
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7.948 15.829 6.668 90.86 96.56 90.05 P-1 |
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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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Zn1 .0962 .0641 .3750 .78 .001845 .001138 .004844 -.000140 .000621 .000358 |
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Zn2 .1360 .4592 .3626 .91 .002165 .001547 .005129 -.000400 .000860 .000501 |
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Zn3 .4046 .5641 .1294 .80 .001965 .001108 .005129 -.000080 .000669 .000119 |
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Zn4 .3640 .9597 .1351 .93 .002366 .001517 .005072 .000180 .000860 .000143 |
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As1 .0869 .1049 .8840 .72 .001684 .000998 .004388 -.000020 .000430 .000286 |
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As2 .1805 .4175 .8604 .69 .001163 .001018 .004958 -.000100 .000430 .000143 |
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As3 .4146 .6049 .6227 .72 .001644 .000968 .004616 -.000240 .000335 .000262 |
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As4 .3181 .9171 .6341 .69 .001203 .001078 .004730 .000000 .000574 .000477 |
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O1 .0594 .0461 .6761 1.04 .003048 .001387 .007123 .000120 .000382 .000167 |
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O2 .1727 .0521 .0878 1.02 .002927 .001248 .006382 .000680 .001243 .000215 |
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O3 .2194 .1790 .4361 1.34 .004371 .001098 .010314 -.000400 .001673 -.000262 |
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O4 .3283 .5525 .4145 1.07 .003048 .001417 .005243 -.000280 .000908 -.000072 |
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O5 .0902 .4752 .6666 1.18 .002727 .001717 .007522 .000440 .001147 .000787 |
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O6 .3854 .3646 .4268 1.26 .001885 .002156 .008776 -.000140 .000430 .000525 |
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O7 .0394 .3387 .3574 1.85 .002085 .001846 .018292 -.000480 .002151 .000692 |
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O8 .1962 .4752 .0740 .94 .002807 .001557 .004160 -.000280 .000813 -.000501 |
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O9 .2840 .6794 .0754 1.28 .003368 .001038 .012024 .000280 .002629 .000143 |
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O10 .3044 .9769 .4250 .84 .002205 .000938 .006610 .000560 .000956 .000715 |
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O11 .4596 .8399 .1319 1.69 .001925 .001786 .017095 .000240 .001530 -.000262 |
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O12 .1133 .8644 .0645 1.40 .003408 .001697 .009459 .000400 -.000239 -.000358 |
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O13 .1992 .1916 .8408 1.33 .004692 .001198 .010770 -.000220 .001482 .000859 |
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O14 .0514 .3320 .8898 1.44 .002807 .000998 .016468 -.001220 .003298 .000119 |
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O15 .3620 .3730 .8048 1.02 .002446 .001667 .006496 -.000560 .001482 .000000 |
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O16 .4418 .5440 .8271 1.00 .003248 .001038 .006838 .000360 .000621 .000954 |
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O17 .3038 .6913 .6709 1.33 .004451 .001297 .010485 .000440 .001482 .000358 |
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O18 .1354 .8734 .6874 1.15 .001564 .002026 .007408 -.000540 .000239 .000930 |
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O19 .4095 .9728 .8315 1.17 .003529 .001677 .005698 .000100 .000143 -.000215 |
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O20 .4449 .8312 .5972 1.55 .002847 .001507 .015785 .000780 .003203 .001025 |
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|
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Agardite-(Ce) |
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Hess H |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 385-392 |
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Die kristallstruktur des chlorotils, SECu6(AsO4)3(OH)6*3H2O |
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(SE = seltene erdmetalle) |
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Locality: Clara mine, Black Forest, Baden-Wurttemberg, Germany |
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_database_code_amcsd 0014774 |
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13.605 13.605 5.917 90 90 120 P6_3/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce 2/3 1/3 .25 .707 .0110 .0110 .0049 .0055 0 0 |
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Cu .41091 .31377 .5023 .0202 .0158 .0030 .0131 .0004 .0003 |
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As .49393 .14946 .75 .0104 .0078 .0041 .0043 0 0 |
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O1 .5728 .1792 .5172 .0157 .0166 .0102 .0084 .0056 .0033 |
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O2 .3914 .3990 .25 .0221 .0209 .0067 .017 0 0 |
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O3 .4132 .2137 .75 .0181 .0173 .0056 .0126 0 0 |
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OH1 .3692 .3765 .75 .0220 .0162 .0063 .0126 0 0 |
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OH2 .4388 .2432 .25 .0394 .0208 .0060 .0222 0 0 |
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Wat .1644 .1551 .4614 .5 .0131 .0132 .0269 -.0029 .0000 -.0037 |
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|
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| |
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Chenite |
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Hess H, Keller P, Riffel H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 259-264 |
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The crystal structure of chenite, Pb4Cu(OH)6(SO4)2 |
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Locality: Leadhills, Scotland |
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_database_code_amcsd 0014826 |
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5.791 7.940 7.976 112.02 97.73 100.45 P-1 |
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atom x y z Uiso |
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Pb1 .3715 .2541 .4865 .028 |
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Pb2 .5602 .2717 .0472 .027 |
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Cu 0 0 0 .019 |
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S .0601 .7390 .2760 .020 |
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OH1 .212 .236 .187 .018 |
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OH2 .277 -.050 -.127 .026 |
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OH3 .320 .559 .596 .027 |
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O4 .198 .316 .814 .026 |
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O5 .162 .588 .220 .033 |
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O6 .089 .818 .481 .026 |
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O7 .185 .887 .225 .027 |
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|
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|
| |
|
ODanielite |
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Keller P, Hess H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 395-404 |
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Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3, |
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und johillerit, Na(Mg,Zn)3Cu(AsO4)3 |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0014829 |
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12.113 12.445 6.793 90 112.87 90 C2/c |
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atom x y z occ Biso |
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Na 0 .0096 .25 2.39 |
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Zn1 .5 .2193 .25 .6 1.09 |
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Mg1 .5 .2193 .25 .4 1.09 |
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Zn2 .2926 .3412 .3796 .85 |
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As1 0 .3095 .25 .66 |
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As2 .2207 .1149 .1144 .58 |
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O1 .3506 .4967 .4033 .93 |
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O2 .3696 .0924 .1657 1.26 |
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O3 .1141 .3941 .2681 1.00 |
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O4 .3462 .3232 .1243 .86 |
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O5 .2122 .1878 .3161 .77 |
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O6 .0343 .2346 .4722 .86 |
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H .1222 .5067 .8012 |
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|
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|
| |
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Johillerite |
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Keller P, Hess H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 395-404 |
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Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3, |
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und johillerit, Na(Mg,Zn)3Cu(AsO4)3 |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0014830 |
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11.870 12.755 6.770 90 113.42 90 C2/c |
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atom x y z occ Biso |
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Na 0 .0084 .25 1.89 |
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Mg1 .5 .2384 .25 .883 .62 |
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Zn1 .5 .2384 .25 .117 .62 |
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Mg2 .2859 .3437 .3739 .883 .58 |
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Zn2 .2859 .3437 .3739 .117 .58 |
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Cu 0 .4973 .25 1.27 |
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As1 0 .2875 .25 .90 |
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As2 .2288 .1144 .1235 .74 |
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O1 .3377 .4988 .3904 1.65 |
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O2 .3799 .1067 .1832 1.09 |
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O3 .1065 .3792 .2639 1.28 |
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O4 .3444 .3289 .1196 .99 |
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O5 .2143 .1899 .3190 1.25 |
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O6 .0364 .2141 .4726 1.06 |
|
|
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|
| |
|
Warikahnite |
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Riffel H, Keller P, Hess H |
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Tschermaks Mineralogische und Petrographische Mitteilungen 27 (1980) 187-199 |
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Die kristallstruktur von warikahnit, Zn3[(H2O)2|(AsO4)2] |
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Locality: Tsumeb mine, Namibia |
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_database_code_amcsd 0015678 |
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6.710 8.989 14.533 105.59 93.44 108.68 P-1 |
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atom x y z Biso |
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Zn1 .3950 .5628 .5894 .77 |
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Zn2 .3826 .5513 .0864 .74 |
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Zn3 .0180 .7092 .3875 .73 |
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Zn4 .2427 .8601 .0831 .74 |
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Zn5 .0633 .0603 .7382 .76 |
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Zn6 .0052 .2247 .1462 .80 |
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As1 .0529 .3345 .3909 .52 |
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As2 .4853 .2776 .6755 .59 |
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As3 .0990 .4359 .8631 .51 |
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As4 .2604 .1360 .9668 .54 |
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O1 .3106 .4477 .4370 .82 |
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O2 .3123 .3237 .6079 .75 |
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O3 .0826 .5393 .6150 .94 |
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Wat4 .4745 .8065 .5725 1.21 |
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Wat5 .4725 .6745 .7427 1.13 |
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O6 .3158 .4496 .9360 .97 |
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O7 .1191 .6275 .0846 .69 |
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O8 .3903 .5579 .2249 .95 |
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O9 .3367 .7695 .3929 .99 |
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O10 .0534 .7848 .5400 .89 |
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O11 .0629 .2943 .7548 .94 |
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Wat12 .3537 .9993 .2214 1.35 |
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O13 .0471 .0891 .8802 .87 |
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O14 .2290 .9437 .9721 .90 |
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O15 .4932 .2083 .9303 .79 |
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O16 .3583 .1058 .7066 1.08 |
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Wat17 .0989 .9831 .3992 .93 |
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O18 .0275 .1992 .2778 .88 |
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O19 .2431 .2638 .0731 1.03 |
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O20 .1381 .6180 .8449 1.01 |
|
|
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|
| |
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Cobaltkoritnigite |
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Zettler F, Riffel H, Hess H, Keller P |
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Zeitschrift fur Anorganische und Allgemeine Chemie 454 (1979) 134-144 |
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Cobalthydrogenarsenat-monohydrat. Darstellung und kristallstruktur |
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Locality: synthetic |
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_database_code_amcsd 0015784 |
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7.865 15.699 6.719 94.25 96.89 90.28 P-1 |
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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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Co1 .0988 .0631 .3899 .0080 .0074 .0091 .0075 -.0001 .0023 .0013 |
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Co2 .1477 .4573 .3694 .0083 .0061 .0107 .0082 -.0001 .0025 .0014 |
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Co3 .4058 .5631 .1323 .0082 .0083 .0093 .0071 .0012 .0022 .0027 |
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Co4 .3515 .9564 .1187 .0083 .0072 .0093 .0097 -.0001 .0020 .0005 |
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As1 .0605 .1024 .9063 .0081 .0082 .0089 .0078 .0005 .0018 .0005 |
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As2 .1529 .4158 .8601 .0086 .0074 .0089 .0091 .0002 .0007 .0014 |
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As3 .4481 .6033 .6314 .0083 .0079 .0092 .0084 -.0002 .0024 .0009 |
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As4 .3407 .9143 .6141 .0087 .0086 .0096 .0079 .0000 .0004 .0012 |
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O1 .0573 .0477 .6867 .0107 .0192 .0051 .0082 .0053 .0035 .0005 |
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O2 .1595 .0477 .0919 .0141 .0147 .0171 .0120 .0016 -.0027 .0031 |
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Wat3 .2062 .1826 .4253 .0234 .0124 .0268 .0322 -.0114 .0013 -.0058 |
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O4 .3390 .5524 .4245 .0137 .0140 .0201 .0128 -.0036 .0077 .0001 |
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O5 .0682 .4666 .6589 .0130 .0150 .0160 .0137 .0088 .0069 .0070 |
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O6 .3541 .3703 .4150 .0113 .0094 .0113 .0154 .0022 .0058 .0005 |
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Wat7 .0095 .3376 .2995 .0156 .0102 .0157 .0231 -.0005 .0048 -.0023 |
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O8 .1920 .4809 .0727 .0115 .0144 .0147 .0073 -.0069 .0035 -.0043 |
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Wat9 .3016 .6802 .1410 .0194 .0133 .0151 .0341 .0034 .0091 .0055 |
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O10 .3077 .9792 .4256 .0092 .0128 .0115 .0036 -.0051 .0020 -.0037 |
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Wat11 .4800 .8409 .1547 .0175 .0119 .0186 .0270 .0092 .0056 .0108 |
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O12 .1335 .8670 .0454 .0124 .0018 .0181 .0142 .0026 -.0015 .0020 |
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OH13 .1879 .1901 .9019 .0169 .0077 .0144 .0295 -.0065 .0062 -.0024 |
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O14 .0347 .3309 .9013 .0191 .0170 .0091 .0366 -.0066 .0058 .0032 |
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OH15 .3453 .3720 .7942 .0167 .0039 .0154 .0354 .0035 .0058 .0041 |
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O16 .4472 .5468 .8346 .0120 .0218 .0110 .0073 .0061 .0024 .0030 |
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OH17 .3405 .6947 .6867 .0160 .0123 .0125 .0229 .0038 .0097 -.0004 |
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OH18 .1462 .8725 .6669 .0116 .0051 .0125 .0168 -.0020 .0007 .0010 |
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O19 .4270 .9648 .8288 .0109 .0133 .0135 .0096 -.0072 .0012 .0036 |
|
O20 .4519 .8289 .5480 .0172 .0144 .0087 .0261 -.0011 .0018 .0016 |
|
|
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|
| |
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