American Mineralogist Crystal Structure Database

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Labuntsovite-Fe
 
Rastsvetaeva R K, Chukanov N V, Pekov I V, Shlyukova Z V, Khomyakov A P
 
Crystallography Reports 43 (1998) 820-827
Structures of two potassium-rich labuntsovites in relation to the crystal chemistry
of minerals of the labuntsovite-nenadkevichite family
Sample: II
_database_code_amcsd 0012359
14.33 13.83 7.79 90 117.1 90 C2/m
atom        x     y     z   occ Biso
NaAI    .4068 .2665  .007    .5  3.9
NaAII   .4190     0 .7022  .125  5.3
KAII    .4190     0 .7022   .75  5.3
TiMI1     .25   .25    .5    .9 2.46
NbMI1     .25   .25    .5    .1 2.46
TiMI2       0 .2247    .5    .9 2.45
NbMI2       0 .2247    .5    .1 2.45
FeMII       0     0    .5 .0625  2.6
MnMII       0     0    .5 .0625  2.6
MgMII       0     0    .5  .025  2.6
Si1     .3225 .1107 .2520       1.65
Si2     .2080 .1094 .8017       1.60
O1      .0829 .1201 .6801        2.2
O2      .2743 .1824 .7376        1.9
O3      .2657 .1259 .3876        2.0
O4      .3667     0 .2769        2.1
O5      .2431     0 .7764        2.2
O6      .4209 .1803 .3026        2.2
O7      .2363 .1262 .0271        2.2
OH      .1013 .2229 .3965        2.0
KAIII   .0839     0 .3363   .65 2.24
BaAIII  .0839     0 .3363    .2 2.24
WatAIII .0839     0 .3363   .15 2.24
Ow1        .5 .1425     0       10.3
Ow2         0 .1175     0       10.7
H1       .479  .119   .89          3
H2       .051  .131   .09          4
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