American Mineralogist Crystal Structure Database

1 matching records for this search.

Pb21[Si7O22]2[Si4O13]
 
Siidra O I, Zenko D S, Krivovichev S V
American Mineralogist 99 (2014) 817-823
Structural complexity of lead silicates: Crystal structure of
Pb21[Si7O22]2[Si4O13] and its comparison to hyttsjoite
Locality: synthetic
_database_code_amcsd 0020132
9.9244 9.9244 34.2357 90 90 120 P6_3/m
atom      x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Pb1     2/3    1/3 .594983     .01184 .01273 .01273  .0101 .00637       0      0
Pb2     2/3    1/3 .490651     .01352 .01453 .01453  .0115 .00726       0      0
Pb3  .75175 .01367 .545490     .01375 .01206 .01489 .01423 .00668 -.00022 .00059
Pb4  .08035 .64380 .653630     .01664 .01375 .01605 .01811 .00594  .00214 .00081
Pb5     2/3    1/3 .698105     .02069 .02583 .02583  .0104 .01292       0      0
Pb6   .8208  .7603     .75 1/3  .0122  .0061  .0120  .0181  .0042       0      0
Pb6A  .8013  .7563  .74109 1/3  .0481  .0444  .0481   .066  .0335   .0321  .0258
Si1       0      0  .66788      .0206  .0195  .0195   .023  .0098       0      0
Si2   .9873  .5707     .75      .0118  .0093  .0103  .0145  .0040       0      0
Si3   .6029  .6077  .55296      .0101  .0115  .0108  .0090  .0062  -.0019  .0005
Si4   .9360  .2492  .63335      .0134  .0131  .0148  .0104  .0056   .0000  .0009
Si5     1/3    2/3   .7398  .5  .0085  .0071  .0071   .011  .0036       0      0
O1    .8553  .3855     .75      .0125   .015   .013   .010   .008       0      0
O2    .6955  .5135  .54715      .0137   .017   .012   .013   .007    .001  -.002
O3    .6446  .7344   .5187      .0191   .031   .017   .015   .016    .003   .005
O4    .7599  .1252   .6215      .0213   .009   .026   .024   .005    .005   .008
O5    .0389  .3315  .59424      .0224   .012   .033   .012   .003    .001   .011
O6        0      0   .7141       .022   .021   .021   .024  .0105       0      0
O7    .9638  .6542   .7121      .0245   .037   .028   .017   .023    .012   .009
O8    .1412  .9762   .6532      .0301   .026   .027   .042   .016    .016   .006
O9    .4174  .4943   .5569      .0284   .011   .014   .058   .005   -.002  -.004
O10   .9442  .3821   .6617       .037   .032   .021   .042   .002    .016  -.013
O11   .1581  .5831     .75       .048   .005   .015   .119   .001       0      0
O12     1/3    2/3   .6943  .5   .027
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