Bechererite Hoffmann C, Armbruster T, Giester G American Mineralogist 82 (1997) 1014-1018 The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints. _database_code_amcsd 0001950 8.319 8.319 7.377 90 90 120 P3 atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Zn1 .1326 .4136 .9997 .0113 .0125 .0293 .0076 -.0007 -.0014 Zn11 .8628 .5734 .0007 .0096 .0117 .0293 .0054 -.0017 -.0014 Zn2 0 0 .2469 .0181 .0181 .020 .00905 0 0 Zn21 0 0 .7571 .0133 .0133 .020 .00665 0 0 S 1/3 2/3 .5902 .016 .016 .018 .008 0 0 Si 2/3 1/3 .3926 .012 .012 .017 .006 0 0 H4 .877 .248 .212 2.37 H41 .050 .748 .729 2.37 H5 .347 .500 .245 2.37 H51 .630 .587 .764 2.37 O1 1/3 2/3 .790 .027 .027 .013 .0135 0 0 O11 2/3 1/3 .163 .020 .020 .028 .010 0 0 O2 .1710 .6756 .5230 .028 .039 .020 .024 -.005 -.004 O21 .8536 .334 .478 .035 .065 .035 .026 -.002 -.012 O4 .9435 .1867 .168 .013 .026 .023 .008 -.003 -.009 O41 .0523 .8045 .839 .017 .015 .026 .011 .004 .006 O5 .3752 .4826 .126 .012 .018 .021 .008 .002 -.004 O51 .6288 .5284 .873 .014 .015 .019 .010 .000 .003 O3 .051 .060 .501 1.5