Miserite Scott J D The Canadian Mineralogist 14 (1976) 515-528 Crystal structure of miserite, a Zoltai Type 5 structure _database_code_amcsd 0005127 10.100 16.014 7.377 96.42 111.15 76.57 P-1 atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) CaZ 0 0 .5 .54 .00133 .00139 .00623 .00021 -.00117 -.00031 KZ 0 0 .5 .26 .00133 .00139 .00623 .00021 -.00117 -.00031 K .32021 .99315 .15955 .00472 .00151 .00691 -.00046 .00226 -.00013 YX .00757 .60253 .15005 .56 .00525 .00185 .00787 -.00104 .00078 .00104 LaX .00757 .60253 .15005 .07 .00525 .00185 .00787 -.00104 .00078 .00104 CeX .00757 .60253 .15005 .11 .00525 .00185 .00787 -.00104 .00078 .00104 PrX .00757 .60253 .15005 .02 .00525 .00185 .00787 -.00104 .00078 .00104 NdX .00757 .60253 .15005 .10 .00525 .00185 .00787 -.00104 .00078 .00104 DyX .00757 .60253 .15005 .06 .00525 .00185 .00787 -.00104 .00078 .00104 ErX .00757 .60253 .15005 .03 .00525 .00185 .00787 -.00104 .00078 .00104 TbX .00757 .60253 .15005 .05 .00525 .00185 .00787 -.00104 .00078 .00104 Ca1 .40066 .26328 .51548 .00220 .00131 .00477 -.00020 -.00146 .00139 Ca2 .40829 .25742 .02070 .00306 .00081 .00358 -.00045 .00069 .00094 Ca3 .36304 .61689 .07902 .00353 .00172 .00405 -.00117 .00078 .00080 Ca4 .00483 .40187 .34005 .00345 .00058 .00696 -.00045 .00105 .00050 Ca5 .64636 .38063 .40674 .00373 .00136 .00407 -.00108 .00003 .00094 Si1 .28670 .44355 .29577 .00232 .00117 .00157 -.00061 -.00029 .00069 Si2 .71369 .55740 .27878 .00232 .00085 .00253 .00021 .00008 .00091 Si3 .70028 .90456 .32885 .00305 .00073 .00229 -.00016 .00085 .00077 Si4 .61346 .10334 .33692 .00232 .00070 .00330 -.00023 .00016 .00065 Si5 .76951 .18751 .14196 .00142 .00094 .00345 -.00023 .00046 .00068 Si6 .90073 .81847 .11888 .00242 .00147 .00106 -.00049 .00037 -.00018 Si7 .23322 .80826 .28473 .00180 .00117 .00185 -.00022 -.00006 .00046 Si8 .09730 .18089 .30029 .00325 .00096 .00129 -.00124 .00093 -.00008 O1 .12345 .45144 .13560 1.14 O2 .40191 .35875 .26502 1.18 O3 .34456 .52995 .29881 1.35 O4 .73283 .57700 .50477 .00548 .00157 .00600 -.00044 .00145 -.00001 O5 .59977 .63990 .17052 1.29 O6 .88067 .55533 .29494 1.26 O7 .67354 .46506 .20091 1.94 O8 .60037 .83471 .24654 1.51 O9 .60012 .00046 .29928 1.57 O10 .80172 .90022 .19590 1.44 O11 .20706 .10629 .43929 1.30 O12 .44704 .15462 .27408 1.58 O13 .69893 .11796 .19834 1.46 O14 .71489 .11252 .56477 1.84 O15 .65205 .27387 .13538 1.35 O16 .93578 .18125 .29619 1.58 O17 .22355 .83779 .07440 1.48 O18 .85352 .72919 .11145 1.26 O19 .06830 .80492 .27437 1.62 O20 .34777 .71819 .34867 1.42 O21 .14822 .27164 .37394 1.18 O22 .09514 .15516 .08265 1.38 OH .88014 .35558 .03173 .00387 .00167 .00864 -.00019 .00214 .00107 F .11449 .63584 .46082 .00831 .00263 .01509 -.00163 .00224 -.00017 Wat 0 0 0 .53 .02397 .00479 .03736 .00055 .00831 -.00011