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 1 Locality: Langban,Sweden _database_code_amcsd 0019528 15.5948 15.5948 11.7794 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 .90 .0127 .0221 .0102 .0059 0 0 0 MnX1 .75 .25 .25 .10 .0127 .0221 .0102 .0059 0 0 0 CaX2 .81066 .04548 .37882 .0123 .0120 .0146 .0102 .0001 -.0009 .0005 CaX3 .9023 .8205 .8935 .88 .0189 .0185 .0129 .025 .0005 -.0030 .0009 Bi3 .9107 .8365 .8684 .069 .012 .011 .010 .015 .004 -.003 .002 CaX4 .75 .75 .1369 .515 .0142 .0134 .0134 .016 0 0 0 MnY1 .75 .75 .0567 .479 .0155 .0119 .0119 .023 0 0 0 AlY2 0 0 0 .0100 .0084 .0091 .0124 -.0008 -.0002 .0022 AlY3 .88771 .12017 .12598 .0103 .0108 .0120 .0083 .0004 .0008 .0001 MnY3 .88771 .12017 .12598 .0103 .0108 .0120 .0083 .0004 .0008 .0001 SiZ1 .25 .75 0 .0087 .0087 .0087 .0087 0 0 0 SiZ2 .82001 .04132 .87112 .0073 .0081 .0090 .0050 -.0001 -.0011 .0005 SiZ3 .91633 .84938 .36405 .0115 .0161 .0095 .0089 .0006 .0015 -.0007 AsT1 .0555 .0555 .25 .039 .055 .058 .058 .05 .021 .006 -.006 O1 .7797 .1730 .0852 .0124 .0140 .0113 .012 -.0001 -.0002 .0004 O2 .8819 .1603 .2809 .0106 .0133 .0113 .0072 .0007 .0002 .0009 O3 .9541 .2234 .0756 .0114 .0143 .0118 .0079 .0036 -.0003 -.0021 O4 .9391 .1055 .4693 .0111 .0127 .0124 .008 -.0023 -.0013 -.0004 O5 .8284 .0125 .1793 .0141 .015 .018 .009 .0071 .0019 .0000 O6 .8794 .7264 .0581 .0192 .031 .014 .013 .0053 -.0001 .0052 O7A .8230 .9435 .8220 .61 .0113 O7B .841 .9493 .8123 .39 .0113 O8 .9394 .9083 .0682 .0105 .0113 .0122 .0081 .0014 .0021 .0000 O9 .8541 .8541 .25 .0135 .0172 .0172 .006 -.006 .0003 -.0003 O10 .75 .75 .883 .63 .021 Cl .75 .75 .844 .40 .026 O11 .9967 .0608 .1364 .0100 .0071 .0118 .011 -.0004 -.0010 -.0026