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Paracoquimbite |
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Robinson P D, Fang J H |
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American Mineralogist 56 (1971) 1567-1572 |
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Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The |
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crystal structure of paracoquimbite |
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Locality: Chuquicamata, Chile |
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_database_code_amcsd 0000261 |
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10.926 10.926 51.300 90 90 120 R-3 |
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atom x y z Biso |
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Fe1 0 0 0 3.4 |
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Fe2 0 0 .5 3.6 |
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Fe3 0 0 .2507 3.2 |
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Fe4 0 0 .1677 3.2 |
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Fe5 0 0 .6652 3.5 |
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S1 .249 .4169 .8756 1.8 |
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S2 .584 .7554 .9593 1.8 |
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O1 .325 .349 .8650 2.4 |
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O2 .655 .682 .9697 2.7 |
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O3 .114 .310 .8865 2.5 |
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O4 .685 .892 .9486 2.4 |
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O5 .223 .493 .8545 2.1 |
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O6 .504 .778 .9807 2.1 |
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O7 .339 .520 .8960 1.7 |
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O8 .481 .662 .9388 2.0 |
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OH9 .171 .073 .8553 2.5 |
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OH10 .929 .826 .9787 2.9 |
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OH11 .446 .114 .9016 2.8 |
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OH12 .886 .550 .9290 2.7 |
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OH13 .596 .434 .8552 2.7 |
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OH14 .575 .410 .9755 2.9 |
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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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Paracoquimbite |
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Yang Z, Giester G |
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European Journal of Mineralogy 30 (2018) 849-858 |
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Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China |
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Locality: Hongshan Cu-Au deposit, NW China |
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_database_code_amcsd 0021042 |
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10.9631 10.9631 51.473 90 90 120 R-3 |
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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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Fe1 0 0 0 .921 .0168 .0150 .0150 .0204 0 0 .0075 |
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Al1 0 0 0 .080 .0168 .0150 .0150 .0204 0 0 .0075 |
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Fe2 0 0 .5 .980 .0200 .0177 .0177 .0246 0 0 .0088 |
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Al2 0 0 .5 .020 .0200 .0177 .0177 .0246 0 0 .0088 |
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Fe3 0 0 .250778 .974 .0132 .0125 .0125 .0147 0 0 .00625 |
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Al3 0 0 .250778 .026 .0132 .0125 .0125 .0147 0 0 .00625 |
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Fe4 0 0 .167717 .980 .0164 .0165 .0165 .0161 0 0 .00825 |
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Al4 0 0 .167717 .020 .0164 .0165 .0165 .0161 0 0 .00825 |
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Fe5 0 0 .665242 .971 .0183 .0191 .0191 .0166 0 0 .00954 |
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Al5 0 0 .665242 .029 .0183 .0191 .0191 .0166 0 0 .00954 |
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S1 .24958 .41606 .875549 .0160 .0156 .0133 .0186 -.0014 -.0007 .0070 |
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S2 .58362 .75489 .959461 .0169 .0133 .0164 .0195 -.0002 -.0019 .0064 |
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O1 .3257 .3492 .86496 .0238 .0206 .0220 .0300 -.0077 -.0002 .0115 |
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O2 .6547 .6824 .96979 .0265 .0202 .0249 .0367 -.0016 -.0091 .0130 |
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O3 .1144 .3109 .88629 .0234 .0201 .0192 .0256 .0005 .0027 .0060 |
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O4 .6854 .8913 .94873 .0252 .0223 .0207 .0260 .0024 -.0005 .0057 |
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O5 .2224 .4933 .85463 .0210 .0226 .0166 .0200 .0025 -.0026 .0070 |
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O6 .5056 .7783 .98065 .0242 .0216 .0234 .0226 -.0041 .0021 .0076 |
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O7 .3399 .5187 .89583 .0201 .0223 .0181 .0214 -.0059 -.0050 .0114 |
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O8 .4823 .6631 .93932 .0197 .0182 .0231 .0202 -.0036 -.0049 .0120 |
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OW1 .1719 .0732 .85513 .0289 .0340 .0189 .0341 -.0005 -.0149 .0133 |
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OW2 .9277 .8273 .97877 .0283 .0173 .0265 .0386 -.0130 -.0033 .0091 |
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OW3 .4481 .1164 .90124 .0369 .0351 .0261 .041 -.0075 .0031 .0092 |
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OW4 .8843 .5480 .92896 .0352 .0284 .0369 .035 .0060 -.0018 .0125 |
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OW5 .5954 .4345 .85517 .0310 .0247 .0344 .0365 -.0103 -.0013 .0166 |
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OW6 .5741 .4109 .97561 .0323 .0425 .0276 .0309 -.0042 -.0163 .0206 |
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H1A .180 .025 .8643 .043 |
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H1B .213 .158 .8576 .043 |
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H2A .846 .774 .9755 .042 |
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H2B .975 .812 .9708 .042 |
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H3A .379 .039 .9012 .055 |
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H3B .442 .161 .9070 .055 |
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H4A .958 .619 .9279 .053 |
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H4B .850 .566 .9227 .053 |
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H5A .627 .470 .8691 .047 |
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H5B .525 .408 .8544 .047 |
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H6A .592 .494 .9759 .048 |
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H6B .538 .384 .9633 .048 |
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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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