American Mineralogist Crystal Structure Database

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Nenadkevichite
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Rastsvetaeva R K, Tamazyan R A, Pushcharovsky D Y, Nadezhina T N
 
European Journal of Mineralogy 6 (1994) 503-509
Crystal structure and microtwinning of K-rich nenadkevichite
Note: Wat4 y-coordinate changed to reproduce reported bond lengths
_database_code_amcsd 0006548
14.692 14.164 7.859 90 117.87 90 Cm
atom     x     y     z occ Biso
K1   .5001 .8194  .983 .76  3.4
K2    .432     0  .705 .53  6.8
K3    .910     0  .648 .44  3.0
K4    .081     0  .288 .49  3.7
Na1   .009     0  .468 .58  1.9
Na2   .796     0  .529 .39  8.8
Na3   .006     0  .109 .25 13.9
NbM1     0 .7691    .5  .6  .32
TiM1     0 .7691    .5  .4  .32
NbM2 .7434 .7480 .4644  .5  .53
TiM2 .7434 .7480 .4644  .5  .53
Si1  .2170 .8920 .7800      1.5
Si2  .6918 .8916  .736      2.0
Si3  .8055 .8901  .186       .9
Si4  .3287 .8914  .230      1.0
O1    .911  .766  .586      3.2
O2    .925  .873  .308      1.8
O3    .268  .867  .341      1.7
O4    .274  .823  .702      3.3
O5    .429 .8256  .285      1.4
O6    .375     0  .280      2.9
O7   .2512  .879  .003      2.0
O8    .227     0  .730      1.8
O9    .104 .7682  .372       .6
O10   .092  .870  .665      2.3
O11   .747 .8652  .601      2.1
O12   .732 .8244  .245       .9
O13   .591  .826  .672      2.3
O14   .656     0  .711      1.5
O15   .771  .872  .956      2.9
O16   .777     0  .204      1.7
Wat1  .030  .880  .982 .56  2.7
Wat2  .564     0  .212 .61  4.2
Wat3  .299     0  .513 .32  2.6
Wat4  .036  .827  .025 .37 12.5
Wat5  .514     0  .891 .36  6.1
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