American Mineralogist Crystal Structure Database

1 matching records for this search.

Vurroite
 
Pinto D, Bonaccorsi E, Balic-Zunic T, Makovicky E
Download am/vol93/AM93_713.pdf
American Mineralogist 93 (2008) 713-727
The crystal structure of vurroite, Pb20Sn2(Bi,As)22S54Cl6: OD-character,
polytypism, twinning, and modular description
Locality: Vulcano, Aeolian Islands, Italy
_database_code_amcsd 0004570
8.371 45.502 27.273 90 98.83 90 C2/c
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PbM1  .3838 .12038 .50934       .0486   .045   .059  .0410   .006   .003 -.0032
PbM2  .8798 .11928 .50973       .0507   .049   .060  .0428   .013   .004 -.0049
PbM3  .3037 .07225 .36465       .0577   .045   .049   .077 -.0009   .006 -.0146
PbM4  .8105 .07164 .36639       .0552   .045   .049   .069  -.002   .003  -.013
PbM5  .3094 .16778 .36618       .0567   .050   .050   .072  -.001   .013  .0202
PbM6  .8079 .16868 .36905       .0581   .046   .050   .078  -.003   .008  .0238
PbM7  .7387 .99299 .74970   .80 .0607   .040   .097  .0457  -.014   .008  -.003
BiM7  .7387 .99299 .74970   .20 .0607   .040   .097  .0457  -.014   .008  -.003
PbM8  .7385 .22831 .25004   .60 .0437   .038  .0541  .0396 -.0054   .007 -.0007
BiM8  .7385 .22831 .25004   .40 .0437   .038  .0541  .0396 -.0054   .007 -.0007
PbM9  .9617 .09124 .66089       .0583   .049   .065   .060  -.006   .006  .0076
PbM10 .4553 .09208  .6680       .0845   .077   .076  .1140  -.002   .041  -.010
PbM11 .2326  .1776  .7445    .2 .0241
BiM11 .2396  .1635  .7444    .3 .0241
AsM11  .244  .1524  .7521    .5 .0241
SnM12 .0295 .12079  .2499   .36  .042
BiM12 .0295 .12079  .2499   .14  .042
SnM13 .5409 .12114  .2501   .36  .040
BiM13 .5409 .12114  .2501   .14  .040
BiM14 .5606 .25453 .37186       .0387   .036  .0406  .0411  -.006   .009 -.0070
AsM15 .4301 .25011  .6298        .037   .031   .028   .054   .007   .010  -.001
BiM16 .1190 .21064 .49487       .0594   .049   .088  .0438  -.005   .013 -.0017
AsM17 .6252 .20655  .4864       .0299   .031   .017   .047   .006   .023   .006
AsM18  .195  .1689  .6129   .81  .025
BiM18  .194  .1696  .6289   .19  .025
BiM19 .6726 .16939 .61481       .0632   .057   .079   .054  -.010   .006 -.0108
AsM20  .131  .0434  .5049   .62  .045
BiM20  .128  .0411  .4997   .38  .045
BiM21 .6265 .04028 .49896       .0437   .048  .0405  .0435  -.002   .010 -.0005
AsM22  .930  .0088  .6278   .78  .028
BiM22  .947   .009  .6114   .22  .028
BiM23 .4306 .00887 .62198       .0536   .052   .060  .0454   .003  -.003  .0066
S1     .172  .1181  .5939 .9643  .029
ClS1   .172  .1181  .5939 .0357  .029
S2     .664  .1147  .5847 .9643  .032
ClS2   .664  .1147  .5847 .0357  .032
S3     .096  .0854  .4484 .9643  .030
ClS3   .096  .0854  .4484 .0357  .030
S4     .600  .0885  .4509 .9643  .027
ClS4   .600  .0885  .4509 .0357  .027
S5     .105  .1603  .4476 .9643  .019
ClS5   .105  .1603  .4476 .0357  .019
S6     .609  .1603  .4556 .9643  .031
ClS6   .609  .1603  .4556 .0357  .031
S7     .456  .2929  .6726 .9643  .028
ClS7   .456  .2929  .6726 .0357  .028
S8     .542  .2059  .3204 .9643  .023
ClS8   .542  .2059  .3204 .0357  .023
S9     .040  .1209  .3418 .9643  .029
ClS9   .040  .1209  .3418 .0357  .029
S10    .535  .1213  .3419 .9643  .033
ClS10  .535  .1213  .3419 .0357  .033
S11    .044  .0338  .3236 .9643  .032
ClS11  .044  .0338  .3236 .0357  .032
S12    .460  .9647  .6828 .9643  .027
ClS12  .460  .9647  .6828 .0357  .027
S13    .763  .0817  .2498 .9643  .034
ClS13  .763  .0817  .2498 .0357  .034
S14    .760  .1602  .2492 .9643  .035
ClS14  .760  .1602  .2492 .0357  .035
S15    .369  .0606  .5512 .9643  .031
ClS15  .369  .0606  .5512 .0357  .031
S16    .935  .0615  .5523 .9643  .035
ClS16  .935  .0615  .5523 .0357  .035
S17    .621  .9818  .5659 .9643  .038
ClS17  .621  .9818  .5659 .0357  .038
S18    .808  .0180  .4326 .9643  .026
ClS18  .808  .0180  .4326 .0357  .026
S19    .756  .0350  .6684 .9643  .040
ClS19  .756  .0350  .6684 .0357  .040
S20    .160  .0345  .6696 .9643  .035
ClS20  .160  .0345  .6696 .0357  .035
S21    .263  .2285  .6726 .9643  .026
ClS21  .263  .2285  .6726 .0357  .026
S22    .660  .2280  .6722 .9643  .028
ClS22  .660  .2280  .6722 .0357  .028
S23    .392  .2273  .4410 .9643  .030
ClS23  .392  .2273  .4410 .0357  .030
S24    .798  .2259  .4406 .9643  .028
ClS24  .798  .2259  .4406 .0357  .028
S25    .358  .1844  .5599 .9643  .032
ClS25  .358  .1844  .5599 .0357  .032
S26    .952  .1856  .5605 .9643  .031
ClS26  .952  .1856  .5605 .0357  .031
S27    .926  .1563  .6817 .9643  .034
ClS27  .926  .1563  .6817 .0357  .034
S28    .508  .1526  .6830 .9643  .031
ClS28  .508  .1526  .6830 .0357  .031
Cl1      .5  .0372    .75        .032
Cl2       0  .2259    .75        .034
Cl3   .2420  .1024  .7423        .029
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Total number of retrieved datasets: 1
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