Vesuvianite Pavese A, Prencipe M, Tribaudino M The Canadian Mineralogist 36 (1998) 1029-1037 X-ray and neutron single-crystal study of P4/n vesuvianite Sample: neutron _database_code_amcsd 0005551 15.532 15.532 11.821 90 90 90 *P4/n -.25 .25 0 atom x y z occ Uiso Si1a .25 .75 0 .0066 Si1b .75 .25 .5 .0087 Si2a .6801 .4604 .1295 .0055 Si2b .4590 .6803 .3710 .0039 Si3a .3492 .4164 .1358 .0076 Si3b .4163 .3495 .3639 .0081 Ca1 .75 .25 .2520 .012 Ca2a .5434 .3106 .1205 .0057 Ca2b .3108 .5437 .3807 .0086 Ca3a .6018 .6816 .1129 .019 Ca3b .6819 .6013 .3872 .0178 Ca4a .25 .25 .3523 .72 .0170 Ca4b .25 .25 .15040 .28 .0170 AlM1a .5 .5 0 .0127 AlM1b .5 .5 .5 .0127 AlM2a .3888 .6210 .1258 .75 .0068 MgM2a .3888 .6210 .1258 .23 .0068 FeM2a .3888 .6210 .1258 .02 .0068 AlM2b .6208 .3872 .3743 .73 .0068 MgM2b .6208 .3872 .3743 .25 .0068 FeM2b .6208 .3872 .3743 .02 .0068 FeM3a .25 .25 .0329 .70 .0159 FeM3b .25 .25 .4691 .30 .0159 H10a .75 .75 .2133 .21 H10b .75 .75 .4448 .21 H10c .75 .75 .2841 .21 H11a .4961 .5603 .2179 .26 H11b .5606 .4972 .2825 .26 O1a .2791 .6727 .0845 .0083 O1b .6728 .2800 .4146 .0049 O2a .6594 .3824 .2215 .0067 O2b .3828 .6604 .2776 .0088 O3a .4517 .7221 .0763 .0076 O3b .7225 .4523 .4243 .0064 O4a .6065 .4382 .0311 .0075 O4b .4374 .6066 .4710 .0061 O5a .3294 .5143 .1785 .0095 O5b .5146 .3297 .3222 .0079 O6a .2712 .3796 .0597 .0124 O6b .3802 .2714 .4405 .0108 O7a .6726 .5555 .1780 .0075 O7b .5550 .6734 .3202 .0097 O8a .4386 .4092 .0657 .0065 O8b .4092 .4394 .4328 .0079 O9 .3550 .3553 .2485 .0069 Oh10a .75 .75 .1330 .011 Oh10b .75 .75 .3645 .011 Oh11a .4961 .5603 .1375 .0077 Oh11b .5606 .4972 .3628 .0091