Lemmleinite-Ba
Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N
American Mineralogist 89 (2004) 1655-1666
Origin of diffuse superstructure reflections in labuntsovite-group minerals
Note: Predicted ordered structure
Locality: Khibiny alkaline complex, Kola peninsula, Russia
_database_code_amcsd 0003657
14.2446 13.7884 15.5 90 116.709 90 C2/m
atom         x       y       z
Ti1        .75     .75       0
Ti1'       .25     .25      .5
Ti2          0  .27320      .5
Ti2'         0  .27320       0
Si1     .20840  .38980  .65220
Si1'    .20840  .38980  .15220
Si2     .32100  .38890  .37550
Si2'    .17900  .11110  .12450
O1     -.08239  .61598  .41230
O1'     .08239  .38402  .08770
O2      .10121  .27701  .44901
OH2'    .10121  .27701 -.05099
O3      .07962  .18111  .59901
O3'     .07962  .18111  .09901
O4      .26638  .37582  .44584
O4'     .23362  .12418  .05416
O5      .36622      .5  .38558
O5'    -.36622      .5  .11442
O6     -.23230  .62790  .23588
O6'     .23230  .37210  .26412
O7      .24773      .5  .64340
O7'     .24773      .5  .14340
O8      .22561 .183890  .37978
O8'    -.22561 .816110  .12022
Ba(C)   .08710      .5  .42120
Mn(D)        0      .5       0
Wat(C) -.10908      .5  .07544
K(B)    .42070      .5  .60220
K'(B)   .57930      .5  .89780
Na(A)   .08660  .26290  .24419
Wat1   -.02538  .61278  .24854
Wat2    .02678  .14705  .74534