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