American Mineralogist Crystal Structure Database

9 matching records for this search.

Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 0.0001 GPa
_database_code_amcsd 0004848
7.279 7.279 17.667 90 90 120 P3_121
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SbB1 .3205     0   1/3     .0090  .0113  .0082  .0063  .0041  .0002  .0003
SbB2 .3306     0   5/6 .96 .0101  .0106  .0106  .0091  .0053 -.0001 -.0001
MgB2 .3306     0   5/6 .04 .0101  .0106  .0106  .0091  .0053 -.0001 -.0001
SbB3 .3340 .5031 .8348 .96 .0071  .0083  .0074  .0064  .0045  .0007  .0003
MgB3 .3340 .5031 .8348 .04 .0071  .0083  .0074  .0064  .0045  .0007  .0003
CaA1     0  .843   2/3 .92  .014   .006   .019   .013  .0028  -.001 -.0004
MnA1     0  .843   2/3 .08  .014   .006   .019   .013  .0028  -.001 -.0004
MnA2  .839     0   5/6 .92 .0193   .024   .028   .008  .0142  .0037   .008
SbA2  .839     0   5/6 .08 .0193   .024   .028   .008  .0142  .0037   .008
CaA3  .498 .3492 .6615 .94 .0132   .010   .012   .013   .003  -.002   .001
MnA3  .498 .3492 .6615 .06 .0132   .010   .012   .013   .003  -.002   .001
O1    .203  .217 .1469      .024   .018   .040   .020   .019   .003   .004
O2    .549  .609 .2028      .029   .060   .040   .009   .040   .003   .002
O3    .194  .638 .1482      .018   .003   .021   .018  -.004  -.002   .001
O4   -.037  .310 .0561      .020   .023   .023   .018   .014  -.004  -.007
O5   -.056  .801 .0564      .015   .016   .020   .018  -.004  -.002   .002
O6    .539  .402 .0557      .017   .014   .021   .012   .005  -.005   .002
O7    .540  .803 .0595      .015   .023   .012   .015   .013   .003   .002
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 2.25 GPa
_database_code_amcsd 0004849
7.243 7.243 17.570 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3193     0   1/3      .012
SbB2 .3298     0   5/6 .96  .010
MgB2 .3298     0   5/6 .04  .010
SbB3 .3351 .5002 .8354 .96 .0079
MgB3 .3351 .5002 .8354 .04 .0079
CaA1     0  .842   2/3 .92  .013
MnA1     0  .842   2/3 .08  .013
MnA2  .829     0   5/6 .92  .024
SbA2  .829     0   5/6 .08  .024
CaA3  .496 .3457 .6619 .94  .014
MnA3  .496 .3457 .6619 .06  .014
O1    .198  .210  .144      .031
O2    .561  .609  .199      .017
O3    .194  .636 .1609      .037
O4   -.028  .313  .056      .024
O5   -.056  .798  .069      .036
O6    .533  .399  .049      .008
O7    .542  .815  .070      .021
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 4.23 GPa
_database_code_amcsd 0004850
7.218 7.218 17.510 90 90 120 P3_121
atom     x     y     z occ Uiso
SbB1 .3185     1   1/3     .016
SbB2 .3271     0   5/6 .96 .013
MgB2 .3271     0   5/6 .04 .013
SbB3 .3362 .5035 .8351 .96 .014
MgB3 .3362 .5035 .8351 .04 .014
CaA1     0  .839   2/3 .92 .014
MnA1     0  .839   2/3 .08 .014
MnA2  .834     0   5/6 .92 .030
SbA2  .834     0   5/6 .08 .030
CaA3  .487  .342  .662 .94 .023
MnA3  .487  .342  .662 .06 .023
O1    .199  .220  .151     .027
O2    .553  .604  .197     .019
O3    .191  .634  .164      .06
O4   -.030  .317  .053     .026
O5   -.048  .797  .065     .033
O6    .527  .401  .053     .008
O7    .553  .825  .065     .018
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 5.41 GPa
_database_code_amcsd 0004851
7.204 7.204 17.450 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3170     0   1/3      .018
SbB2 .3279     0   5/6 .96 .0142
MgB2 .3279     0   5/6 .04 .0142
SbB3 .3368 .5006 .8360 .96 .0132
MgB3 .3368 .5006 .8360 .04 .0132
CaA1     0  .832   2/3 .92  .007
MnA1     0  .832   2/3 .08  .007
MnA2  .829     0   5/6 .92  .019
SbA2  .829     0   5/6 .08  .019
CaA3  .487  .344 .6652 .94  .010
MnA3  .487  .344 .6652 .06  .010
O1    .201  .212  .151      .012
O2    .565  .605  .193      .034
O3    .188  .628  .161      .027
O4   -.024  .322  .048      .037
O5   -.044  .811  .062      .030
O6    .540  .399  .041      .005
O7    .537  .801  .068      .031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 6.38 GPa
_database_code_amcsd 0004852
7.182 7.182 17.465 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3188     0   1/3      .004
SbB2 .3303     0   5/6 .96 .0085
MgB2 .3303     0   5/6 .04 .0085
SbB3 .3360 .5001 .8343 .96 .0033
MgB3 .3360 .5001 .8343 .04 .0033
CaA1     0  .840   2/3 .92  .018
MnA1     0  .840   2/3 .08  .018
MnA2  .826     0   5/6 .92  .025
SbA2  .826     0   5/6 .08  .025
CaA3  .491  .348 .6623 .94  .015
MnA3  .491  .348 .6623 .06  .015
O1    .197  .202  .153      .037
O2    .559  .609  .188      .026
O3    .191  .628  .154      .022
O4   -.035  .304  .047      .021
O5   -.052  .802  .068      .018
O6    .536  .400  .042      .017
O7    .552  .816  .068      .017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 7.42 GPa
_database_code_amcsd 0004853
7.170 7.170 17.406 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3191     0   1/3      .015
SbB2 .3313     0   5/6 .96  .016
MgB2 .3313     0   5/6 .04  .016
SbB3 .3364 .4986 .8340 .96 .0114
MgB3 .3364 .4986 .8340 .04 .0114
CaA1     0  .844   2/3 .92  .018
MnA1     0  .844   2/3 .08  .018
MnA2  .827     0   5/6 .92  .026
SbA2  .827     0   5/6 .08  .026
CaA3  .500  .349  .659 .94  .025
MnA3  .500  .349  .659 .06  .025
O1    .199  .203  .145      .023
O2    .545  .605  .172       .05
O3    .197  .637  .151       .07
O4   -.046  .293  .045      .029
O5   -.044  .799  .054      .017
O6    .534  .406  .042      .011
O7    .559  .819  .074      .031
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Filipstadite
Download hom/filipstadite.pdf
Bonazzi P, Chelazzi L, Bindi L
 
American Mineralogist 98 (2013) 361-366
Superstructure, crystal chemistry, and cation distribution in filipstadite,
a Sb5+-bearing, spinel-related mineral
Locality: Langban, Filipstad district, Varmland, Sweden
_database_code_amcsd 0019779
25.9300 25.9300 25.9300 90 90 90 *Fd3m
.125 .125 .125
atom         x        y       z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Sb1         .5       .5      .5      .0191  .0191  .0191  .0191 -.00035 -.00035 -.00035
Sb2   -.083172 -.083172  .16703 .653 .0209  .0204  .0204  .0219 -.00015  .00135  .00135
Mg2   -.083172 -.083172  .16703 .347 .0209  .0204  .0204  .0219 -.00015  .00135  .00135
Sb3     .00019   .00019  .16626 .385 .0223  .0223  .0223  .0222  -.0008  -.0024  -.0024
Mg3     .00019   .00019  .16626 .615 .0223  .0223  .0223  .0222  -.0008  -.0024  -.0024
Sb4     .08548   .08548  .50417 .125 .0255  .0278  .0278  .0210  -.0071  -.0010  -.0010
Mg4     .08548   .08548  .50417 .875 .0255  .0278  .0278  .0210  -.0071  -.0010  -.0010
Sb5          0   .08217 -.08217 .257 .0234  .0235  .0234  .0234   .0021   .0021  -.0028
Mg5          0   .08217 -.08217 .743 .0234  .0235  .0234  .0234   .0021   .0021  -.0028
Sb6     .16674   .16674  .16674 .364 .0217  .0217  .0217  .0217  -.0022  -.0022  -.0022
Mg6     .16674   .16674  .16674 .635 .0217  .0217  .0217  .0217  -.0022  -.0022  -.0022
FeT1    .29109   .29109  .29109  .94 .0240  .0240  .0240  .0240  -.0003  -.0003  -.0003
MgTM1   .29109   .29109  .29109  .06 .0240  .0240  .0240  .0240  -.0003  -.0003  -.0003
FeT2    .04165   .04165  .37540  .94 .0235  .0237  .0237  .0230   .0011  -.0011  -.0011
MgTM2   .04165   .04165  .37540  .06 .0235  .0237  .0237  .0230   .0011  -.0011  -.0011
FeT3     .3750    .3750   .3750  .89 .0221  .0221  .0221  .0221    .000    .000    .000
MgTM3    .3750    .3750   .3750  .11 .0221  .0221  .0221  .0221    .000    .000    .000
FeT4    .04204   .04204  .04204  .91 .0217  .0217  .0217  .0217  -.0001  -.0001  -.0001
MgTM4   .04204   .04204  .04204  .09 .0217  .0217  .0217  .0217  -.0001  -.0001  -.0001
FeT5    .95808    .1250   .1250  .90 .0185  .0181  .0186  .0186    .000    .000   .0014
MgTM5   .95808    .1250   .1250  .10 .0185  .0181  .0186  .0186    .000    .000   .0014
O1      .07970   .07970  .24693      .0231  .0242  .0242   .021   .0107   .0024   .0024
O2     -.08050  -.08050  .08849      .0245  .0255  .0255   .023   .0039   .0031   .0031
O3      .16329  -.00514 -.07966      .0243  .0238  .0230  .0263   .0001  -.0050  -.0064
O4     -.08474  -.08474  .24570      .0226  .0219  .0219   .024   .0047   .0067   .0067
O5      .00307   .00307  .57536      .0206  .0232  .0232  .0154   .0062   .0002   .0002
O6       .0863    .0863   .0863      .0265  .0265  .0265  .0265    .005    .005    .005
O7      .08847   .08847  .42015      .0220  .0210  .0210   .024   .0017   .0046   .0046
O8      .24656   .24656  .24656      .0230  .0230  .0230  .0230   .0028   .0028   .0028
O9     -.00228  -.00228   .0865      .0272  .0285  .0285   .025   .0050  -.0087  -.0087
O10     .41673   .41673  .41673      .0261  .0261  .0261  .0261  -.0007  -.0007  -.0007
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Lautite
Download hom/lautite.pdf
Bindi L, Catelani T, Chelazzi L, Paola B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=64&spage=22
Acta Crystallographica E64 (2008) i22-i22
Reinvestigation of the crystal structure of lautite, CuAsS
Locality: Marienberg, Saxony, Germany
_database_code_amcsd 0010484
11.347 3.7533 5.453 90 90 90 Pnma
atom      x   y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu   .17454 .25 .06264  .0165  .0171  .0168  .0157      0 -.0015      0
As   .01373 .25 .35177 .00894  .0105  .0084  .0080      0 .00083      0
S    .16576 .75  .8196  .0100  .0108  .0114  .0079      0 -.0005      0
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View JMOL 3-D Structure (permalink)
 
Bonazziite
 
Bindi L, Pratesi G, Muniz-Miranda M, Zoppi M, Chelazzi L, Lepore G O, Menchetti S
 
Mineralogical Magazine 79 (2015) 121-131
From ancient pigments to modern optoelectronic applications of arsenic sulfides:
bonazziite, the natural analogue of beta-As4S4 from Khaidarkan deposit, Kyrgyzstan
Locality: Fergana Valley, Alai Range, Osh Oblast, Kyrgyzstan
_database_code_amcsd 0020633
9.956 9.308 8.869 90 102.55 90 C2/c
atom       x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  -.00188 -.20545 .05491 .0288  .0349  .0341  .0175  .0055  .0059  .0067
As2  -.16022 -.40158 .12611 .0283  .0237  .0319  .0250  .0005 -.0038 -.0065
S1         0   .0540    .25 .0337  .0446  .0226  .0336      0  .0079      0
S2         0   .5536    .25 .0360  .0362  .0222  .0435      0 -.0046      0
S3    -.2012  -.3040  .3403 .0348  .0267  .0494  .0309 -.0044  .0118 -.0064
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 9
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