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American Mineralogist Crystal Structure Database

1 matching records for this search.

Esperite
Download hom/esperite.pdf 
Tait K T, Yang H, Downs R T, Li C, Pinch W W
  
American Mineralogist 95 (2010) 699-705
The crystal structure of esperite, with a revised chemical formula,
PbCa2(ZnSiO4)3, isostructural with beryllonite
Locality: Franklin, New Jersey, USA
_database_code_amcsd 0005046
8.7889 8.2685 15.2535 90 90.050 90 P2_1/n
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb   .245756 .055200 .250826 .00928 .01076 .00671 .01038  .00027  .00008 -.00001
Ca1   .73827  .46078  .07414 .00779  .0082  .0068  .0084  -.0006   .0008   .0004
Ca2   .76071  .03835  .08855 .00768  .0095  .0060  .0076  -.0006  -.0010   .0004
Zn1   .57626  .33526  .24338 .00795 .00805 .00877 .00704 -.00053  .00070 -.00056
Zn2   .07422  .33879  .09038 .00789 .00759 .00824 .00786 -.00036  .00004  .00054
Zn3   .09274  .33936  .41626 .00797 .00828 .00850 .00713  .00048 -.00057 -.00032
Si1   .91112  .22833  .26527 .00588  .0062  .0058  .0057   .0005  -.0001  -.0003
Si2   .43933  .22969  .41207 .00581  .0062  .0059  .0053  -.0003   .0005   .0000
Si3   .39507  .22585  .07455 .00596  .0060  .0058  .0062  -.0005   .0002   .0001
O1     .4095   .2295   .1819  .0094  .0095  .0121  .0066  -.0038   .0005  -.0003
O2     .4339   .7366   .2947  .0093  .0075  .0121  .0083  -.0016   .0007  -.0038
O3     .2698   .2303   .3661  .0095  .0079  .0117  .0089   .0023  -.0019  -.0038
O4     .7684   .2503   .1979  .0087  .0080  .0109  .0071   .0019  -.0012  -.0016
O5     .9125   .2422   .0170  .0082  .0097  .0096  .0052  -.0020   .0004  -.0002
O6     .5655   .2541   .0346  .0086  .0067  .0104  .0088  -.0015   .0012  -.0018
O7     .5464   .3672   .3678  .0097  .0130  .0088  .0073  -.0034   .0019   .0002
O8     .2762   .3633   .0417  .0099  .0091  .0087  .0118   .0021   .0013   .0041
O9     .9147   .3644   .3420  .0097  .0107  .0085  .0098   .0015  -.0029  -.0036
O10    .5889   .5519   .1881  .0115  .0173  .0063  .0108  -.0007   .0033  -.0009
O11   -.0172   .5545   .1060  .0102  .0096  .0055  .0156  -.0006   .0012   .0004
O12    .1723   .5508   .4532  .0103  .0123  .0067  .0120   .0011  -.0034   .0005


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	Total number of retrieved datasets: 1

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