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American Mineralogist Crystal Structure Database

1 matching records for this search.

Macphersonite
Download hom/macphersonite.pdf 
Steele I M, Pluth J J, Livingstone A
Download mm/vol62/MM62_451.pdf 
Mineralogical Magazine 62 (1998) 451-459
Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite
Locality: Leadhills-Wanlockhead orefield, Scotland
Note: space group changed from Pcab to Pbca
_database_code_amcsd 0014534
9.242 23.050 10.383 90 90 90 Pbca
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .06550 .44671 .87282 .0166  .0111  .0179  .0208  .0006 -.0002 -.0002
Pb2  .39976 .54944 .88805 .0164  .0122  .0182  .0187  .0003 -.0005  .0009
Pb3  .13688 .83923 .91390 .0199  .0174  .0180  .0242 -.0027 -.0034 -.0011
Pb4  .53367 .66070 .65959 .0238  .0188  .0222  .0303 -.0030  .0024  .0027
S     .2642  .7562  .6177 .0175   .011   .017   .025  -.001  -.002  -.001
OH1    .100  .3529   .916  .024   .014   .014   .044   .007  -.006  -.001
O2     .388  .5654  .6361  .016   .003   .026   .020   .001   .001  -.002
O3     .112  .4219  .6375  .019   .012   .037   .006  -.003   .001   .000
O4     .176  .9255   .739  .023   .009   .040   .020   .003   .002  -.004
OH5    .438  .6453   .870  .023   .020   .015   .033   .002   .004   .001
O6     .180  .5656   .741  .018   .011   .021   .022   .003   .004   .009
O7    -.187  .4233   .977  .022   .010   .031   .024   .003  -.005  -.001
O8     .734  .6948   .851  .030   .033   .023   .036  -.010   .002  -.009
O9     .416  .7648   .649  .037   .019   .033   .059  -.014  -.010   .011
O10    .682  .5632   .974  .017   .014   .017   .020   .001   .008  -.002
O11    .238  .7650   .478  .028   .035   .020   .028   .001  -.001   .001
O12    .172  .7949   .691  .045   .059   .052   .023   .026  -.006  -.012
C1     .248  .5648   .634  .011   .011   .001   .021   .000   .002   .000
C2     .251  .9237   .633  .014   .008   .014   .019  -.003   .003   .006


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	Total number of retrieved datasets: 1

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