American Mineralogist Crystal Structure Database

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Ershovite
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Rastsvetaeva R K, Rekhlova O Y, Khomyakov A P
 
Crystallography Reports 36 (1991) 500-503
Crystal structure of a new natural Na,K,Fe silicate
Locality: Khibiny massif, Kola peninsula, Russia
_database_code_amcsd 0012339
10.244 11.924 5.276 103.491 96.960 91.945 P-1
atom      x     y     z occ Biso
K1    .5505 .1366 .8268     1.91
K2       .5    .5    .5     3.04
Na1   .9705 .8648 .4696     1.86
Na2   .9955 .7343 .8831     2.30
Fe2+M .0035 .4252 .7039 .45 1.48
MnM   .0035 .4252 .7039 .35 1.48
TiM   .0035 .4252 .7039 .20 1.48
Si1   .7348 .2783 .4224     1.16
Si2   .7163 .6726 .1325     1.16
Si3   .7343 .4144 .9886     1.12
Si4   .6835 .8086 .6982     1.22
O1    .6745 .3528 .6855      1.5
O2    .8913 .2868 .4723      1.5
O3    .6489 .7230 .8897      1.7
O4    .8715 .6898 .1759      1.6
O5    .8910 .4320 .0192      1.5
O6    .8293 .8636 .7716      1.8
O7    .6637 .5360 .0563      1.6
O8    .6498 .7308 .3928      1.6
O9    .6812 .3386 .1795      1.4
O10   .6707 .1491 .3595      1.7
O11   .5740 .9053 .7290      1.7
O12   .8924 .5486 .5781      2.1
O13   .8624 .9923 .2607      2.7
O14   .8518 .1133 .8154      2.8
H1      .86   .94   .14      1.2
H2      .50   .87   .68      2.9
H3      .81   .04   .26      2.6
H4      .85   .03   .80      3.4
H5      .81   .12   .66      2.2
H6      .83   .55   .52      4.3
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