Vesuvianite Groat L A, Evans R J American Mineralogist 97 (2012) 1627-1634 Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2 Locality: Langban,Sweden _database_code_amcsd 0019529 15.5852 15.5852 11.7782 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) CaX1 .75 .25 .25 .879 .01045 .0165 .00805 .00676 .000 .000 .000 MnX1 .75 .25 .25 .121 .01045 .0165 .00805 .00676 .000 .000 .000 CaX2 .810436 .045686 .379089 .961 .00884 .00763 .01038 .00850 .00081 -.00083 .00018 MnX2 .810436 .045686 .379089 .039 .00884 .00763 .01038 .00850 .00081 -.00083 .00018 CaX3 .90003 .82040 .8937 .982 .0151 .01199 .0113 .0220 .00113 -.00401 -.0019 Bi3 .9100 .8368 .8658 .015 .010 .013 .010 .006 .0047 .0006 .006 CaX4 .75 .75 .14124 .505 .0116 .0080 .0080 .0188 .000 .000 .000 MnY1A .75 .75 .06105 .2229 .0075 FeY1 .75 .75 .04018 .2229 .0075 .00621 .00660 .0108 .00034 .00014 .00066 AlY2 0 0 0 .00788 .00754 .00825 .00779 .00017 .00032 -.00004 AlY3 .88896 .12004 .12631 .909 .00786 .00754 .00825 .00779 .00017 .00032 -.00004 MnY3 .88896 .12004 .12631 .091 .00786 SiZ1 .25 .75 0 .00688 .00709 .00709 .0065 .000 .000 .000 SiZ2 .820208 .040952 .87104 .00628 .00611 .00632 .00642 .00004 -.00092 .00046 SiZ3 .91611 .84959 .36419 .00809 .01169 .00593 .00664 .00025 .00051 -.00001 AsT1 .0565 .0565 .25 .0334 .0100 .0102 .0102 .010 .0012 -.0008 .0008 O1 .78047 .17284 .08561 .00983 .0124 .0074 .0097 .0003 -.0005 .0008 O2 .88172 .16035 .28043 .00970 .0094 .0092 .0105 -.0006 -.0030 .0008 O3 .95478 .22343 .07585 .01054 .0129 .0086 .0101 .0027 .0014 .0005 O4 .93917 .10559 .46983 .00873 .0100 .0070 .0092 -.0001 -.0011 .0017 O5 .82863 .01285 .17928 .01184 .0110 .0148 .0097 .0052 .0011 -.0010 O6 .87897 .72567 .05563 .01579 .0246 .0108 .0121 .0035 .0023 .0047 O7A .8233 .94365 .8213 .564 .0093 O7B .8421 .94761 .8110 .436 .0093 O8 .93986 .90809 .06794 .00873 .0073 .0082 .0107 .0006 .0025 .0010 O9 .85352 .85352 .25 .0117 .0137 .0137 .0078 -.0038 -.0012 .0012 O10 .75 .75 .8669 1.01 .0183 Cl .75 .75 .831 .064 .020 O11 .99715 .06086 .13716 .00907 .0078 .0103 .0091 -.0010 -.0015 -.0013