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The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

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American Mineralogist Crystal Structure Database

1 matching records for this search.

Callaghanite
Download hom/callaghanite.pdf 
Brunton G D
Download am/vol58/AM58_965.pdf 
American Mineralogist 58 (1973) 965-965
Refinement of the callaghanite structure
_database_code_amcsd 0000388
10.0060 11.7520 8.2132 90 107.38 90 C2/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Cu   .04844 .10820 .45595 .00171 .00091 .00390 -.00015 .00087  .00022
Mg   .15640 .31527 .32767 .00156 .00114 .00363 -.00003 .00053  .00023
C         0  .5395    .25  .0023  .0011  .0040       0  .0007       0
O1    .1165  .4860  .2787  .0025 .00134  .0083  .00031  .0007  .00004
O2        0  .6487    .25  .0033 .00107  .0099       0  .0024       0
OH1   .0169  .2648  .0987 .00212 .00140  .0037 -.00010 .00080 -.00033
OH2   .1153  .9511  .4962 .00226 .00133  .0055 -.00011 .00131  .00017
OH3   .2225 .15247  .4171 .00184 .00141  .0041 -.00007 .00098  .00014
Wat   .3328  .3271  .2481  .0028 .00211  .0056  .00037  .0021  .00049


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