Seeligerite Bindi L, Welch M D, Bonazzi P, Pratesi G, Menchetti S Mineralogical Magazine 71 (2008) 771-783 The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile Locality: San Rafael mine, Sierra Gorda, Chile _database_code_amcsd 0014582 7.971 7.976 27.341 90 90 90 Cmm2 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pb1 0 0 .00120 .0391 .0391 .0390 .0392 0 0 0 Pb2 0 0 .32526 .0284 .0280 .0280 .0291 0 0 0 Pb3 0 .5 .32043 .0328 .0328 .0327 .0328 0 0 0 Pb4 0 0 .65541 .0304 .0295 .0297 .0321 0 0 0 Pb5 0 .5 .65998 .0335 .0329 .0328 .0350 0 0 0 Pb6 0 .5 .93079 .0366 .0361 .0360 .0378 0 0 0 Pb7 .25 .25 .15868 .0288 .0278 .0277 .0309 .0002 0 0 Pb8 .25 .25 .82289 .0307 .0307 .0306 .0308 .0001 0 0 Pb9 .25 .25 .56002 .0614 .0605 .0605 .0632 -.0002 0 0 I1 0 0 .90611 .0358 .034 .034 .039 0 0 0 I2 .25 .25 .42342 .0195 .0197 .0197 .0190 -.0001 0 0 I3 0 .5 .07382 .0116 .0121 .0120 .0108 0 0 0 O1 0 .7097 .1081 .034 .033 .031 .039 0 0 .002 O2 .2101 .5 .1079 .034 .032 .033 .039 0 .003 0 O3 .2313 0 .8840 .023 .026 .029 .014 0 -.004 0 O4 0 -.2311 .8840 .023 .029 .025 .014 0 0 .004 O5 .2489 0 .6097 .084 .07 .09 .09 0 .01 0 O6 0 .2490 .6085 .085 .08 .07 .10 0 0 -.01 O7 .2493 .5 .4212 .037 .036 .041 .033 0 -.002 0 O8 0 .2507 .4211 .037 .040 .036 .034 0 0 .003 Cl1 0 0 .1987 .0180 .022 .022 .009 0 0 0 Cl2 .25 .25 .7026 .037 .037 .038 .036 .001 0 0 Cl3 0 .5 .7964 .041 .047 .046 .030 0 0 0 Cl4 0 0 .7852 .036 .034 .034 .040 0 0 0 Cl5 .25 .25 .2981 .036 .035 .035 .039 -.001 0 0 Cl6 0 0 .5108 .066 .072 .071 .056 0 0 0 Cl7 .25 .25 -.0179 .0466 .051 .051 .037 -.003 0 0 Cl8 0 .5 .2088 .0139 .015 .015 .012 0 0 0 Cl9 0 .5 .4921 .029 .028 .029 .031 0 0 0