American Mineralogist Crystal Structure Database

2 matching records for this search.

Eclarite
Download hom/eclarite.pdf
Topa D, Makovicky E
 
The Canadian Mineralogist 50 (2012) 371-386
Eclarite: New data and interpretations
Locality: Felbertal, Salzburg Province, Austria
_database_code_amcsd 0019708
4.0307 22.7011 54.6145 90 90 90 Pmcn
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   .75 .14778 .070090      .0244  .0256  .0255  .0219      0      0 -.0008
Bi2   .75 .33131 .065868      .0245  .0258  .0259  .0218      0      0  .0006
Bi3   .25 .22287 .125515      .0247  .0248  .0285  .0209      0      0 -.0011
Bi4   .25 .40900 .123206      .0251  .0241  .0290  .0221      0      0 -.0010
Bi5   .25 .03474 .244920      .0238  .0241  .0240  .0232      0      0 -.0004
Bi6   .25 .37471 .251522      .0252  .0260  .0245  .0251      0      0 -.0015
Bi7   .25 .27823 .316806      .0249  .0243  .0250  .0253      0      0 -.0025
Bi8   .75 .44231 .320094      .0235  .0238  .0241  .0226      0      0  .0006
BiME2 .25 .42113  .00591      .0305  .0228  .0344  .0344      0      0  .0001
BiME3 .75 .32724 .379705      .0305  .0301  .0351  .0263      0      0  .0001
BiME4 .75 .20482 .437853      .0247  .0239  .0269  .0233      0      0  .0026
BiME5 .25 .36761 .441339      .0278  .0261  .0284  .0290      0      0  .0012
Pb1   .25 .23449  .00804      .0348  .0284  .0368  .0392      0      0 -.0046
Pb2   .75 .00411  .11604      .0369  .0292  .0491  .0325      0      0  .0040
Pb3   .75 .11799  .17909      .0354  .0312  .0373  .0378      0      0 -.0043
Pb4   .75 .31548  .18457      .0355  .0296  .0329  .0440      0      0  .0045
Pb5   .75 .20538  .24985      .0355  .0334  .0435  .0296      0      0  .0038
Pb6A  .25 -.0023   .3191  .66 .0347  .0324  .0293   .042      0      0  -.004
Bi6B  .25  .0029   .3258  .34 .0347  .0324  .0293   .042      0      0  -.004
Pb7A  .25  .1385  .36909  .83 .0413  .0467   .049  .0285      0      0  .0008
Bi7B  .25  .1187   .3691  .17 .0413  .0467   .049  .0285      0      0  .0008
Pb8A  .25  .0297  .42879  .76 .0371  .0324   .039  .0402      0      0  .0055
Bi8B  .25  .0453   .4332  .24 .0371  .0324   .039  .0402      0      0  .0055
Cu    .75   .134   .3039  .55  .032   .030    .03   .038      0      0   .007
Fe    .75   .144    .307  .45  .032   .030    .03   .038      0      0   .007
Bi9   .25 .04446  .02586 .854 .0325  .0339  .0322  .0315      0      0 -.0041
Cu1   .25  .0828   .0112 .179  .036
Cu2   .25 -.0022   .0457 .113  .030
S1    .75  .1345  .02197      .0254   .029   .031   .016      0      0   .003
S2    .75  .3242  .01839      .0238   .025   .024   .022      0      0   .009
S3    .25  .0654  .07563      .0241   .026   .025   .021      0      0   .001
S4    .25  .2393  .06419      .0256   .023   .022   .032      0      0   .002
S5    .25  .4160  .06584      .0297   .031   .029   .029      0      0   .003
S6    .75  .1412  .12451      .0222   .023   .026   .018      0      0   .000
S7    .75  .3157  .12540      .0284   .029   .024   .032      0      0   .000
S8    .75  .4908  .12326      .0271   .025   .027   .029      0      0   .005
S9    .25  .0348  .15253      .0227   .023   .021   .024      0      0   .002
S10   .25  .2180  .17193      .0244   .027   .026   .020      0      0  -.002
S11   .25  .4081  .17113      .0213   .024   .021   .019      0      0   .000
S12   .25  .1330  .22145      .0205   .020   .027   .014      0      0   .001
S13   .25  .2805  .22606      .0250   .026   .025   .024      0      0   .002
S14   .75  .4170  .22461      .0214   .023   .021   .020      0      0   .005
S15   .75  .0607  .27513      .0308   .024   .039   .029      0      0  -.001
S16   .25  .1819  .29259      .0235   .024   .020   .027      0      0  -.003
S17   .75  .3227  .28608      .0267   .025   .034   .022      0      0   .003
S18   .25  .4882  .29170      .0252   .020   .033   .023      0      0   .004
S19   .75  .0800  .33918      .0262   .028   .030   .021      0      0  -.005
S20   .75  .2303  .34716      .0307   .026   .031   .035      0      0   .009
S21   .25  .3920  .35300      .0228   .027   .024   .017      0      0   .000
S22   .75  .1033  .40848      .0247   .023   .029   .022      0      0   .001
S23   .25  .2693  .40563      .0246   .021   .030   .023      0      0   .003
S24   .75  .4190  .41180      .0303   .028   .026   .037      0      0   .007
S25   .75  .0364  .47613      .0277   .032   .027   .024      0      0   .002
S26   .25  .1636  .46463      .0295   .022   .036   .031      0      0   .013
S27   .75  .3068  .46660      .0242   .029   .023   .020      0      0   .000
S28   .25  .4629  .47310      .0308   .037   .030   .025      0      0  -.003
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View JMOL 3-D Structure (permalink)
 
Eclarite
Download hom/eclarite.pdf
Kupcik V
 
Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1984) 259-269
Die kristallstruktur des minerals eclarit, (Cu,Fe)Pb9Bi12S28
_database_code_amcsd 0015698
54.760 4.030 22.75 90 90 90 Pnma
atom      x   y     z occ Biso
Cu    .3055 .75  .139  .6  3.2
Fe    .3055 .75  .139  .4  3.2
Pb1   .0084 .25 .2346      2.2
Pb2   .1163 .75 .0035      2.5
Pb3   .1791 .75 .1177      2.3
Pb4   .1842 .75 .3158      2.1
Pb5   .2495 .75 .2065      1.8
Pb6   .3216 .25 .0004      3.1
Pb7   .3693 .25 .1382      3.1
Pb8   .4301 .25 .0340      3.1
Pb9   .0260 .25 .0445  .2  3.1
Pb10  .0060 .25 .4211  .2  1.8
Pb11  .3793 .75 .3274  .2  1.8
Pb12  .4377 .75 .2054  .2  1.3
Pb13  .4412 .25 .3674  .2  1.5
Bi1   .0701 .75 .1481      1.4
Bi2   .0658 .75 .3308      1.2
Bi3   .1256 .25 .2221      1.7
Bi4   .1231 .25 .4092      1.5
Bi5   .2451 .25 .0357      1.6
Bi6   .2513 .25 .3754      2.0
Bi7   .3162 .25 .2798      1.5
Bi8   .3197 .75 .4426      1.2
BiMe1 .0260 .25 .0445 .68  3.1
SbMe1 .0260 .25 .0445 .12  3.1
BiMe2 .0060 .25 .4211 .68  1.8
SbMe2 .0060 .25 .4211 .12  1.8
BiMe3 .3793 .75 .3274 .68  1.8
SbMe3 .3793 .75 .3274 .12  1.8
BiMe4 .4377 .75 .2054 .68  1.3
SbMe4 .4377 .75 .2054 .12  1.3
BiMe5 .4412 .25 .3674 .68  1.5
SbMe5 .4412 .25 .3674 .12  1.5
S1    .0223 .75  .136     1.10
S2    .0190 .75  .324     1.20
S3    .0752 .25  .067     1.50
S4    .0645 .25  .240     2.10
S5    .0654 .25  .416     1.00
S6    .1255 .75  .140     1.20
S7    .1251 .75  .316     1.80
S8    .1230 .75  .489     1.90
S9    .1532 .25  .036      .60
S10   .1725 .25  .218     1.30
S11   .1708 .25  .409     2.00
S12   .2213 .25  .136     1.30
S13   .2258 .25  .284      .40
S14   .2236 .75  .418     1.10
S15   .2750 .75  .062     1.20
S16   .2928 .25  .183     1.00
S17   .2853 .75  .323     1.30
S18   .2912 .25  .487     1.40
S19   .3401 .75  .080     1.40
S20   .3468 .75  .232     2.40
S21   .3532 .25  .394     1.50
S22   .4082 .75  .104     2.10
S23   .4051 .25  .269     1.20
S24   .4111 .75  .420     2.90
S25   .4758 .75  .035     2.30
S26   .4646 .25  .164     1.60
S27   .4663 .75  .307     1.50
S28   .4733 .25  .462     2.90
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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