Vesuvianite Halenius U, Bosi F, Gatedal K American Mineralogist 98 (2013) 566-573 Crystal structure and chemistry of skarn-associated bismuthian vesuvianite Locality: Langban Mn-Fe deposit, central Sweden _database_code_amcsd 0020160 15.7018 15.7018 11.8648 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 .0169 .0269 .0150 .0088 .000 .000 .000 CaX2 -.18937 .04448 .37940 .0142 .0140 .0182 .0104 .0008 -.0016 -.0005 BiX3 .91052 .83432 .86868 .1240 .0204 CaX3 -.10225 -.18232 .89613 .8111 .0239 CaX4 .75 .75 .1416 .457 .0291 .0197 .0197 .048 .000 .000 .000 CeX4 .75 .75 .1416 .043 .0291 .0197 .0197 .048 .000 .000 .000 AlT1 .0566 .0566 .25 .1098 .012 MnY1 .75 .75 .0483 .344 .0267 .0142 .0142 .052 .000 .000 .000 MgY1 .75 .75 .0483 .156 .0267 .0142 .0142 .052 .000 .000 .000 AlY2 0 0 0 1.041 .0128 .0133 .0128 .0124 .0004 .0019 .0017 AlY3 -.11248 .12049 .12697 .847 .0125 .0142 .0139 .0092 .0007 .0011 .0003 FeY3 -.11248 .12049 .12697 .153 .0125 .0142 .0139 .0092 .0007 .0011 .0003 SiZ1 .75 .25 0 .936 .0100 .0120 .0120 .0059 .000 .000 .000 SiZ2 -.17996 .04190 .87164 .931 .0110 .0104 .0158 .0070 .0004 -.0010 .0023 SiZ3 -.08294 -.15023 .36360 .0139 .0195 .0137 .0086 .0025 .0003 -.0011 O1 -.2204 .1730 .0852 .0171 .0236 .0167 .0108 -.0012 .0011 .0006 O2 -.1180 .1602 .2801 .0190 .0226 .0201 .0142 -.0010 -.0041 .0020 O4 -.0618 .1057 .4692 .0156 .0198 .0175 .0096 -.0014 -.0028 .0003 O3 -.0470 .2236 .0757 .0164 .0222 .0166 .0103 .0028 -.0003 -.0011 O5 -.1717 .0135 .1782 .0206 .0185 .027 .0160 .0063 .0019 -.0040 O6 .8799 -.2742 .0583 .0271 .039 .025 .0170 .0080 .0045 .0041 O7 .0543 .1712 .3197 .0272 .025 .037 .020 .0086 .0010 .0064 O8 -.0604 -.0910 .0680 .0176 .0167 .0189 .0171 .0023 .0066 .0020 O9 -.1440 -.1440 .25 .0205 .0272 .0272 .007 -.004 -.0011 .0011 O10 .75 .75 .8658 .051 .034 .034 .085 .000 .000 .000 O11 -.0036 .0620 .1361 .0167 .0156 .0191 .0155 -.0016 -.0020 -.0036