American Mineralogist Crystal Structure Database

1 matching records for this search.

Miserite
Download hom/miserite.pdf
Scott J D
Download cm/vol14/CM14_515.pdf
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
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