Magnesiocopiapite Susse P Zeitschrift fur Kristallographie 135 (1972) 34-55 Crystal structure and hydrogen bonding of copiapite Locality: Alcaparrosa, Chile _database_code_amcsd 0010726 7.342 18.818 7.389 91.45 102.15 98.85 P-1 atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Mg 0 0 0 1.95 .008475 .001589 .009953 .000989 .001714 .000635 Fe1 .6861 .3326 .4944 .95 .004138 .001067 .003414 .000399 .000098 .000411 Fe2 .6833 .6800 .8980 .89 .002393 .001067 .004808 .000342 -.000196 .000448 S1 .9461 .7338 .3113 1.13 .004437 .001284 .004472 .000285 .000636 .000579 S2 .7221 .4200 .1318 1.09 .004337 .001139 .004664 .000209 .000539 .000598 S3 .5945 .2057 .1675 1.12 .003838 .001103 .005770 .000456 .000441 .000299 O1 .774 .6993 .172 1.72 .003539 .002039 .011588 .000019 .000343 .000504 O2 .881 .7607 .469 1.81 .014307 .001531 .005674 .001369 .003525 .000560 O3 .944 .3248 .631 1.79 .007527 .001132 .014233 .001217 .002056 .001009 O4 .943 .2103 .771 1.87 .008774 .001880 .008463 -.000666 .002840 .001139 O5 .551 .3702 .037 .90 .001944 .001923 .005001 -.000076 -.001811 .000448 O6 .671 .4905 .166 1.84 .015703 .000769 .009040 .000837 .001567 .000112 O7 .807 .3917 .311 1.37 .006281 .001364 .005097 .000418 .000098 .000467 O8 .857 .4254 .011 1.30 .005882 .002221 .006347 .000285 .003525 .001980 O9 .580 .1272 .178 1.72 .007826 .000849 .012935 .000571 .000636 .000093 O10 .597 .7757 .893 1.09 .003539 .001415 .004231 .000152 -.000343 .000019 O11 .712 .2317 .038 1.54 .005085 .001894 .006972 .000552 .001860 .000486 O12 .682 .2406 .357 1.55 .008724 .001495 .005530 .001426 .000685 .000392 OH13 .567 .6562 .635 1.41 .007029 .001451 .005674 -.000380 .002497 .000579 Wat14 .572 .2788 .694 1.74 .010518 .001669 .006251 .000361 .003721 -.000056 Wat15 .706 .4262 .647 1.87 .010219 .001611 .007261 .000989 .001371 .000766 Wat16 .758 .9491 .076 2.69 .010070 .002431 .013800 -.000590 .002889 -.000131 Wat17 .778 .5834 .919 1.64 .006082 .001335 .012117 .001141 .002154 .001420 Wat18 .854 .9923 .728 3.42 .022383 .002395 .013848 .002492 .001469 .000766 Wat19 .919 .7206 .818 1.85 .006481 .001901 .011300 -.000209 .003672 .001177 Wat20 .912 .0976 .035 3.04 .021784 .001502 .017406 .001826 .006609 .000467 Wat21 .725 .8934 .418 3.10 .017099 .001959 .014858 .000685 .002497 .000205 Wat22 .768 .5601 .509 2.22 .015753 .001386 .009809 .000666 .004651 .000654 Wat23 .657 .1007 .570 3.11 .018445 .002017 .016204 .001008 .002497 .002335