Mooreite Hill R J Acta Crystallographica B36 (1980) 1304-1311 The structure of mooreite Locality: Sterling Hill, New Jersey, USA Note: Isotropic and anisotropic displacement factors taken from ICSD _database_code_amcsd 0009711 11.147 20.350 8.202 90 92.69 90 P2_1/a atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Mg1 .04530 -.00217 .18168 .0069 .0173 .0082 -.0004 .0019 .0018 Mg2 .31801 -.00420 .27219 .0080 .0181 .0079 -.0011 .0020 -.0007 Mg3 .13643 -.00408 .54463 .0048 .0138 .0093 .0006 .0020 -.0012 Mg4 .40908 .00041 .63507 .0077 .0165 .0079 .0008 .0009 -.0009 Mg5 .5 0 0 .0092 .0155 .0047 -.0001 .0001 .0010 Zn1 .23039 .08363 .90475 .0086 .0115 .0105 .0003 .0013 -.0001 Zn2 .27372 .40940 .09073 .0104 .0124 .0103 -.0010 .0020 -.0012 Mn .36743 .24605 .98358 .941 .0119 .0133 .0169 -.0005 .0025 -.0001 S .12580 .22529 .46938 .0216 .0273 .0168 .0021 .0046 .0007 O1 .0342 .1808 .4090 .089 .049 .217 -.036 -.085 .031 O2 .2400 .1926 .4612 .034 .105 .082 .041 .037 .045 O3 .1166 .2836 .3681 .049 .080 .061 .012 .006 .052 O4 .1074 .2396 .6325 .169 .159 .013 .124 .002 -.011 Oh5 .2452 .3146 .0768 .016 .013 .015 .000 .005 -.001 Oh6 .2286 .1808 .9099 .018 .019 .019 -.005 .004 -.003 Oh7 .1676 .0463 .3298 .013 .011 .010 .000 .004 -.001 Oh8 .4379 .0504 .4213 .014 .010 .011 .003 .003 .001 Oh9 -.0109 .0510 .6069 .009 .014 .008 .001 -.002 .000 Oh10 .0718 .0542 -.0293 .009 .017 .009 -.001 .002 -.002 Oh11 .2580 .0567 .6803 .012 .011 .008 -.001 .002 .000 Oh12 .3527 .0559 .0670 .009 .012 .014 -.001 .003 .000 Oh13 .1170 .4423 .1552 .008 .015 .017 .001 .006 -.003 Oh14 .2109 .4462 .5130 .008 .015 .010 .001 .002 .002 Oh15 .3067 .4380 .8691 .011 .015 .011 -.001 .001 .001 Oh16 .4008 .4393 .2469 .013 .013 .011 .001 .001 -.001 Oh17 .0277 .4503 .7907 .012 .008 .004 .001 .002 -.001 Ow18 .0174 .1877 .0606 .021 .025 .026 .010 .006 -.006 Ow19 .3987 .1903 .2153 .023 .026 .024 -.004 .002 .009 Ow20 .0287 .3110 .8884 .021 .022 .024 .000 -.001 -.003 Ow21 .3602 .2956 .7405 .030 .046 .026 -.004 .006 .004 H5 .231 .307 .153 .05 H6 .214 .187 .857 .05 H7 .171 .082 .341 .05 H8 .450 .085 .426 .05 H9 .000 .084 .599 .05 H10 .057 .078 -.004 .05 H11 .259 .092 .640 .05 H12 .375 .083 .105 .05 H13 .085 .418 .164 .05 H14 .224 .414 .500 .05 H15 .316 .403 .818 .05 H16 .431 .406 .287 .05 H17 .030 .409 .800 .05 H181 .025 .199 .128 .05 H186 .097 .180 .003 .05 H192 .355 .189 .302 .05 H193 .442 .204 .243 .05 H204 .032 .298 .792 .05 H205 .084 .316 .970 .05 H214 .404 .292 .687 .05 H214' .303 .282 .685 .05