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American Mineralogist Crystal Structure Database

1 matching records for this search.

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
Sample B at T = 22 deg C
Locality: Khibiny alkaline complex, Kola peninsula, Russia
_database_code_amcsd 0003654
14.237 13.768 7.767 90 116.83 90 C2/m
atom        x      y      z  occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti1       .25    .25     .5       1.08  .0301  .0058  .0116  .0054  .0153  .0027
Ti2         0 .22712     .5      1.113  .0115  .0046  .0137      0 -.0054      0
Si1    .20816 .10996 .80316       .478  .0063  .0050  .0062 -.0003  .0022  .0005
Si2    .31987 .11131 .24992       .509  .0075  .0052  .0069 -.0007  .0034 -.0007
O1     .08209 .11590  .6736        .80  .0072  .0091  .0114  .0003  .0018  .0026
O2     .10065 .22441  .3970   .5   .71  .0051  .0132  .0092 -.0003  .0036 -.0006
OH2    .10065 .22441  .3970   .5   .71  .0051  .0132  .0092 -.0003  .0036 -.0006
O3      .4199 .18084  .3030        .93  .0122  .0102  .0149 -.0049  .0077 -.0045
O4      .2652 .12522  .3893        .79  .0126  .0084  .0113  .0006  .0074 -.0005
O5      .3645      0  .2714        .83  .0109  .0057  .0156      0  .0065      0
O6      .2326  .1282 1.0265        .90  .0125  .0132  .0072  .0011  .0033 -.0003
O7      .2474      0  .7868        .81  .0108  .0051  .0166      0  .0078      0
O8     .27370 .18328  .7385        .75  .0095  .0094  .0097 -.0011  .0045  .0024
Ba(C)  .08538      0  .3423 .380  1.05  .0128  .0138  .0137      0  .0063      0
Wat(C)  .1043      0   .347 .460  2.37
Fe(D)       0      0     .5 .460   .91  .0095  .0049  .0130      0 -.0015      0
K(B)   .41995      0  .7027  .89  2.35  .0231   .047  .0185      0  .0088      0
Na(B)    .429   .042   .718  .07    .5
Na(A)   .4133  .2624  .0103 .485  2.05   .021   .021   .040  .0001  .0169 -.0027
Wat1   -.0248  .1138 -.0061       2.47   .029   .043   .026  -.011   .016  -.005
Wat2    .4733  .1465  .0102       1.92   .019   .031   .024  -.002   .011  -.002


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	Total number of retrieved datasets: 1

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