American Mineralogist Crystal Structure Database

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Paranatisite
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Sokolova E V, Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P
Soviet Physics Doklady 30 (1985) 822-825
Crystal structure of a new mineral Na8Ti3.5O2(OH)2[SiO4]4 -
a polymorphous modification of natisite
Locality: Khibiny mountain range, Kolsky Peninsula, Russia
_database_code_amcsd 0020476
9.827 9.167 4.799 90 90 90 Pmma
atom    x    y    z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na1   .25    0 .404      1.9 .00724 .00654 .00868       0       0       0
Na2     0   .5    0      1.2 .00569 .00327 .00651       0  .00212       0
Na3   .25 .252 .996      2.2 .00776 .00505 .01302       0       0  .00056
Ti1     0    0    0 .75  1.8 .01967 .00000 .00217       0 -.01643       0
Ti2   .25   .5 .535       .2 .00103 .00267 .00868       0       0       0
Si      0 .251   .5       .8 .00233 .00208 .01736       0       0       0
O1   .614 .355 .355      1.1 .00000 .00684 .01736 -.00194  .00053 -.00341
O2   .435 .148 .255       .9 .00258 .00119 .01519 -.00138 -.00318       0
OH3  .307    0 .873  .5  2.3 .01682 .00029 .02171       0 -.01060       0
O4    .25   .5 .178       .8 .00621 .00327 .00108       0       0       0
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