Paracoquimbite
Robinson P D, Fang J H
American Mineralogist 56 (1971) 1567-1572
Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The
crystal structure of paracoquimbite
Locality: Chuquicamata, Chile
_database_code_amcsd 0000261
10.926 10.926 51.300 90 90 120 R-3
atom x y z Biso
Fe1 0 0 0 3.4
Fe2 0 0 .5 3.6
Fe3 0 0 .2507 3.2
Fe4 0 0 .1677 3.2
Fe5 0 0 .6652 3.5
S1 .249 .4169 .8756 1.8
S2 .584 .7554 .9593 1.8
O1 .325 .349 .8650 2.4
O2 .655 .682 .9697 2.7
O3 .114 .310 .8865 2.5
O4 .685 .892 .9486 2.4
O5 .223 .493 .8545 2.1
O6 .504 .778 .9807 2.1
O7 .339 .520 .8960 1.7
O8 .481 .662 .9388 2.0
OH9 .171 .073 .8553 2.5
OH10 .929 .826 .9787 2.9
OH11 .446 .114 .9016 2.8
OH12 .886 .550 .9290 2.7
OH13 .596 .434 .8552 2.7
OH14 .575 .410 .9755 2.9
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Paracoquimbite
Yang Z, Giester G
European Journal of Mineralogy 30 (2018) 849-858
Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China
Locality: Hongshan Cu-Au deposit, NW China
_database_code_amcsd 0021042
10.9631 10.9631 51.473 90 90 120 R-3
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1 0 0 0 .921 .0168 .0150 .0150 .0204 0 0 .0075
Al1 0 0 0 .080 .0168 .0150 .0150 .0204 0 0 .0075
Fe2 0 0 .5 .980 .0200 .0177 .0177 .0246 0 0 .0088
Al2 0 0 .5 .020 .0200 .0177 .0177 .0246 0 0 .0088
Fe3 0 0 .250778 .974 .0132 .0125 .0125 .0147 0 0 .00625
Al3 0 0 .250778 .026 .0132 .0125 .0125 .0147 0 0 .00625
Fe4 0 0 .167717 .980 .0164 .0165 .0165 .0161 0 0 .00825
Al4 0 0 .167717 .020 .0164 .0165 .0165 .0161 0 0 .00825
Fe5 0 0 .665242 .971 .0183 .0191 .0191 .0166 0 0 .00954
Al5 0 0 .665242 .029 .0183 .0191 .0191 .0166 0 0 .00954
S1 .24958 .41606 .875549 .0160 .0156 .0133 .0186 -.0014 -.0007 .0070
S2 .58362 .75489 .959461 .0169 .0133 .0164 .0195 -.0002 -.0019 .0064
O1 .3257 .3492 .86496 .0238 .0206 .0220 .0300 -.0077 -.0002 .0115
O2 .6547 .6824 .96979 .0265 .0202 .0249 .0367 -.0016 -.0091 .0130
O3 .1144 .3109 .88629 .0234 .0201 .0192 .0256 .0005 .0027 .0060
O4 .6854 .8913 .94873 .0252 .0223 .0207 .0260 .0024 -.0005 .0057
O5 .2224 .4933 .85463 .0210 .0226 .0166 .0200 .0025 -.0026 .0070
O6 .5056 .7783 .98065 .0242 .0216 .0234 .0226 -.0041 .0021 .0076
O7 .3399 .5187 .89583 .0201 .0223 .0181 .0214 -.0059 -.0050 .0114
O8 .4823 .6631 .93932 .0197 .0182 .0231 .0202 -.0036 -.0049 .0120
OW1 .1719 .0732 .85513 .0289 .0340 .0189 .0341 -.0005 -.0149 .0133
OW2 .9277 .8273 .97877 .0283 .0173 .0265 .0386 -.0130 -.0033 .0091
OW3 .4481 .1164 .90124 .0369 .0351 .0261 .041 -.0075 .0031 .0092
OW4 .8843 .5480 .92896 .0352 .0284 .0369 .035 .0060 -.0018 .0125
OW5 .5954 .4345 .85517 .0310 .0247 .0344 .0365 -.0103 -.0013 .0166
OW6 .5741 .4109 .97561 .0323 .0425 .0276 .0309 -.0042 -.0163 .0206
H1A .180 .025 .8643 .043
H1B .213 .158 .8576 .043
H2A .846 .774 .9755 .042
H2B .975 .812 .9708 .042
H3A .379 .039 .9012 .055
H3B .442 .161 .9070 .055
H4A .958 .619 .9279 .053
H4B .850 .566 .9227 .053
H5A .627 .470 .8691 .047
H5B .525 .408 .8544 .047
H6A .592 .494 .9759 .048
H6B .538 .384 .9633 .048
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