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American Mineralogist Crystal Structure Database

1 matching records for this search.

Alstonite
Download hom/alstonite.pdf 
Bindi L, Roberts A C, Biagioni C
  
Mineralogical Magazine 84 (2020) 699-704
The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example
of 'hidden' complex twinning in large single crystals
Locality: Fallowfield mine, Northumberland, England
_database_code_amcsd 0020914
17.4360 17.4360 6.1295 90 90 120 P31m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ba1  .65993      0 .09659 .01630 .00819  .0148  .0281 .00742 -.00027   .000
Ba2  .83960      0  .5958 .02955  .0323  .0186  .0332 .00928  -.0008   .000
Ba3  .50180 .15658 .09689 .01823 .01122  .0178 .02705 .00825 -.00011  .0003
Ca1  .16090      0  .0985  .0221  .0274  .0099  .0233  .0049  -.0007   .000
Ca2  .32472      0  .5971  .0271  .0295  .0175  .0302  .0088   .0008   .000
Ca3  .31951 .49915  .5962  .0269  .0308  .0165  .0333  .0117   .0008 -.0001
C1    .3328  .1624  .9278  .0271   .026   .036   .017   .014  -.0058 -.0040
C2    .3336  .1636  .4345  .0193   .024   .021   .015   .013   .0032  .0015
C3        0      0   .352   .018   .007   .007   .041  .0036    .000   .000
C4        0      0  .8388   .007
C5    .5015      0  .8287  .0168
C6      1/3    2/3  .4408   .028   .034   .034   .015   .017    .000   .000
C7      1/3    2/3   .919   .036   .044   .044   .019   .022    .000   .000
C8    .5022      0  .3576  .0170   .010   .004   .035  .0020   -.003   .000
O1    .4095  .2372  .9194  .0369   .027   .053   .031   .020   -.004  -.002
O2    .3294  .0839  .9268  .0312   .032   .016   .041   .009    .003  .0016
O3    .2547  .1619  .9425  .0373   .030   .037   .042   .015   -.001  -.006
O4    .3395  .2382  .4429  .0373   .017   .028   .059   .005    .001  -.001
O5    .2589  .0906  .4256  .0387   .029   .024   .053   .005    .002   .002
O6    .4081  .1597  .4494  .0340   .024   .032   .047   .015    .000   .005
O7    .0708      0  .8471  .0257   .023   .022   .031  .0110   -.001   .000
O8    .0742  .5780  .8367  .0355   .035   .014   .058   .012    .010   .011
O9    .4287      0  .8424  .0322   .018   .027   .055   .014   -.003   .000
O10   .6732  .2604  .9184  .0397   .036   .057   .035   .030   -.006  -.002
O11   .5981  .2565  .4545  .0480   .044   .059   .051   .033    .004   .003
O12   .5775  .0727  .3509  .0300   .031   .048  .0163   .024  -.0033  -.004
O13   .4311      0  .3504  .0348   .044   .044   .017   .022    .007   .000
O14   .0725      0   .350   .067   .033   .096   .092   .048    .001   .000


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	Total number of retrieved datasets: 1

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