Vesuvianite Rucklidge J C, Kocman V, Whitlow S H, Gabe E J The Canadian Mineralogist 13 (1975) 15-21 The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield _database_code_amcsd 0005102 15.5430 15.5430 11.7905 90 90 90 *P4/nnc .25 .25 .25 atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Si1 -.25 .25 0 .00046 .00046 .00141 0 0 0 Si2 -.18083 .04058 .87117 .00041 .00050 .00124 .00001 -.00003 -.00007 Si3 -.08275 -.15068 .36481 .00080 .00043 .00129 .00005 .00005 -.00003 Ca1 -.25 .25 .25 .00081 .00047 .00122 0 0 0 Ca2 -.18903 .04377 .37959 .00037 .00059 .00103 .00005 -.00005 .00001 Ca3 -.10024 -.17980 .88584 .00073 .00066 .00278 -.00021 -.00049 .00022 CaC -.25 -.25 .13959 .00032 .00032 .00273 0 0 0 FeB -.25 -.25 .04842 .00045 .00045 .00910 0 0 0 Al -.11252 .12111 .12645 .73 .00048 .00047 .00131 .00001 .00011 -.00002 Mg -.11252 .12111 .12645 .17 .00048 .00047 .00131 .00001 .00011 -.00002 Fe -.11252 .12111 .12645 .06 .00048 .00047 .00131 .00001 .00011 -.00002 Ti -.11252 .12111 .12645 .04 .00048 .00047 .00131 .00001 .00011 -.00002 AlA 0 0 0 .00048 .00052 .00148 .00003 -.00001 -.00004 O1 -.22031 .17320 .08583 .00086 .00044 .00131 -.00002 -.00008 -.00012 O2 -.11715 .15951 .27837 .00061 .00072 .00179 -.00009 -.00027 .00008 O3 -.04932 .22170 .07689 .00076 .00055 .00144 .00003 .00001 -.00006 O4 -.06174 .10611 .47074 .00072 .00042 .00156 -.00002 -.00020 .00010 O5 -.16955 .01587 .17879 .00073 .00100 .00164 -.00029 .00025 .00011 O6 -.11777 -.27110 .05877 .00172 .00076 .00227 -.00038 .00034 -.00042 O7 .05603 .17329 .32195 .00051 .00097 .00217 .00012 -.00004 .00015 O8 -.06090 -.09017 .06540 .00047 .00056 .00213 -.00008 .00048 -.00016 O9 -.14406 -.14406 .25 .00102 .00102 .00107 -.00017 -.00022 .00021 O10 -.25 -.25 .86066 .00043 .00043 .01229 0 0 0 OH -.00441 .06214 .13594 .00053 .00049 .00113 .00007 .00001 .00012