American Mineralogist Crystal Structure Database

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Delhayelite
Download hom/delhayelite.pdf
Cannillo E, Rossi G, Ungaretti L
 
Rendiconti della Societa Italiana di Mineralogia e Petrologia 26 (1970) 63-75
The crystal structure of delhayelite
24.86 7.07 6.53 90 90 90 *Pmmn
-.25 -.25 0
atom     x     y     z occ Biso
K1   .1322   .25 .7804 .88 1.95
K2     .25   .25 .3721  .9 2.76
K3     .25   .75 .0195 .85 4.45
Na       0     0     0 .75 1.07
CaNa     0     0     0 .25 1.07
Ca   .0067   .75 .5034      .81
Al1  .1828   .75 .5342  .5  .59
Si1  .1125 .4656 .2818      .51
Si2  .1828   .75 .5342  .5  .59
Si3  .1065   .75 .9188      .70
O1   .0550 .4818 .3845     3.76
O2   .1618 .5510 .4135     4.01
O3   .1124 .5675 .0601     3.28
O4   .0491   .75 .8164     1.64
O5   .1580   .75 .7738     2.73
O6   .1295   .25 .2433     2.96
O7     .25   .75 .5392     2.32
Cl     .25   .25 .8793  .9 3.83
F    .0297   .25 .8146     2.02
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