American Mineralogist Crystal Structure Database

1 matching records for this search.

Emilite
 
Balic-Zunic T, Topa D, Makovicky E
Download cm/vol40/CM40_239.pdf
The Canadian Mineralogist 40 (2002) 239-245
The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45
angstrom derivative of the bismuthinite-aikinite solid-solution series
_database_code_amcsd 0005769
4.0285 44.986 11.599 90 90 90 Pmc2_1
atom  x       y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1   0  .14354 .4003     .0301   .030   .027   .034      0      0  -.005
Bi2  .5 -.01589 .3608     .0295   .031   .030   .027      0      0  -.001
Bi3  .5  .07152 .5363     .0365   .035   .041   .033      0      0  -.001
Bi4   0  .10499 .8982     .0310   .029   .028   .036      0      0   .003
Bi5  .5  .26488 .8645     .0299   .033   .026   .031      0      0   .002
Bi6  .5  .17709 .0368     .0366   .036   .033   .041      0      0   .001
Bi7  .5  .51934 .8652     .0293   .031   .023   .033      0      0   .003
Bi8   0  .35944 .8998     .0324   .031   .035   .032      0      0   .002
Bi9   0  .44729 .7272     .0378   .040   .026   .048      0      0  -.002
Bi10 .5  .23178 .3614     .0288   .030   .026   .030      0      0   .000
Bi11  0  .39190 .4033     .0294   .030   .024   .035      0      0   .000
Pb1   0  .06241 .2050     .0335   .038   .036   .026      0      0  -.003
Pb2   0  .18685 .7081     .0389   .041   .030   .045      0      0   .008
Pb3  .5  .43728 .0540     .0373   .039   .028   .045      0      0   .004
Pb4  .5  .31476 .5495     .0375   .038   .025   .049      0      0   .000
Pb5   0  .30960 .2145     .0394   .040   .022   .057      0      0  -.003
Cu1   0   .0100 .6080      .025   .021   .050   .006      0      0  -.003
Cu2   0   .2594 .6160      .036   .038   .031   .040      0      0  -.002
Cu3  .5   .3652 .1472      .048   .058   .022   .064      0      0   .011
Cu4  .5   .3858 .6530      .046   .059   .023   .056      0      0  -.013
Cu5   0   .2387 .1100      .035   .038   .028   .040      0      0   .002
Cu6   0   .4882  .112 .36   .04
Cu7  .5   .1335  .656 .34   .04
Cu8  .5   .1114  .150 .29   .04
S1   .5   .1727  .500      .027
S2   .5   .0975  .334      .029
S3   .5   .0139  .163      .020
S4    0  -.0469  .256      .022
S5    0   .0305  .425      .028
S6    0   .1108  .594      .023
S7   .5   .0747  .001      .030
S8   .5   .1512  .834      .026
S9   .5   .2348  .668      .024
S10   0   .2962  .766      .020
S11   0   .2181  .927      .022
S12   0   .1367  .093      .019
S13   0   .5491  .763      .028
S14   0   .4719  .932      .033
S15   0   .3881  .094      .034
S16  .5   .3264  .999      .038
S17  .5   .4059  .836      .040
S18  .5   .4869  .667      .031
S19   0   .2003  .255      .023
S20   0   .2772  .428      .027
S21   0   .3613  .597      .027
S22  .5   .4228  .504      .038
S23  .5   .3464  .339      .031
S24  .5   .2617  .167      .025
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