American Mineralogist Crystal Structure Database

3 matching records for this search.

Mcalpineite
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Carbone C, Basso R, Cabella R, Martinelli A, Grice J D, Lucchetti G
 
American Mineralogist 98 (2013) 1899-1905
Mcalpineite from the Gambatesa mine, Italy, and redefinition of the species
Locality: the Gambatesa mine, Val Graveglia, eastern Liguria, Italy
_database_code_amcsd 0020014
9.53928 9.53928 9.53928 90 90 90 Ia3
atom      x    y     z    occ  Uiso
Te      .25  .25   .25        .0209
Cu   .96845    0   .25 .99998 .0265
O     .3666 .175 .3953 .99998 .0261
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View JMOL 3-D Structure (permalink)
 
Mcalpineite
Download hom/mcalpineite.pdf
Missen O P, Mills S J, Canossa S, Hadermann J, NÚnert G, Weil M, Libowitzky E,
Housley R M, Artner W, Kampf A R, Rumsey M S, Spratt J, Momma K, Dunstan M A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=78&spage=20
Acta Crystallographica B78 (2022) 20-32
Polytypism in mcalpineite: a study of natural and synthetic Cu3TeO6
Sample: ED
Locality: Synthetic
_database_code_amcsd 0021066
9.745 9.749 9.771 90 90 90 Pcca
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Te1     .5    .5    .5 .0239   .020   .024   .027  -.001   .001   .001
Te2    .75     0 .3028 .0356   .033   .033   .041  -.004      0      0
Cu1     .5     0    .5  .028   .021   .019   .043  -.001  -.002   .001
Cu2     .5 .7169   .25  .020   .023   .012   .025      0  -.005      0
Cu3    .75    .5 .2166  .021   .010   .028   .025   .012      0      0
Cu4  .2191 .7482 .5046 .0355   .014   .025   .067  -.002   .007  -.016
Cu5     .5 .2208   .25  .044   .067   .025   .040      0   .024      0
O1   .6189 .5762 .3532  .022   .018   .019   .028   .011  -.003   .007
O2   .4304 .3500 .3824  .030   .028   .019   .043  -.005   .012   .016
O3   .3546 .8778 .5641  .034   .018   .048   .035   .001   .011  -.020
O4   .3555 .6174 .4220  .023   .020   .013   .035   .004   .008   .003
O5   .4000 .8580  .140  .033   .033   .011   .056  -.003  -.008  -.001
O6    .643  .091  .169  .055   .077   .044   .042   .032   .012   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mcalpineite
Download hom/mcalpineite.pdf
Missen O P, Mills S J, Canossa S, Hadermann J, NÚnert G, Weil M, Libowitzky E,
Housley R M, Artner W, Kampf A R, Rumsey M S, Spratt J, Momma K, Dunstan M A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=78&spage=20
Acta Crystallographica B78 (2022) 20-32
Polytypism in mcalpineite: a study of natural and synthetic Cu3TeO6
Sample: Rietveld
Locality: Synthetic
_database_code_amcsd 0021067
9.56156 9.55853 9.62891 90 90 90 Pcca
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Te1      .5     .5     .5  .0112  .0184  .0010  .0141 -.0033 -.0131  .0020
Te2     .75      0 .30388  .0159  .0123  .0312  .0041  .0234      0      0
Cu1      .5      0     .5 .01011
Cu2      .5  .7205    .25 .01011
Cu3     .75     .5  .2180 .01011
Cu4   .2157  .7484  .4998 .01011
Cu5      .5  .2244    .25 .01011
O1    .6176  .5795  .3482 .01011
O2    .4254  .3544  .3857 .01011
O3    .3623  .8642  .5666 .01011
O4   .33984  .6067  .4283 .01011
O5    .3965 .85823  .1547 .01011
O6    .6298  .0906  .1614 .01011
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: 3
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