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American Mineralogist Crystal Structure Database

1 matching records for this search.

Fencooperite
  
Grice J D
Download cm/vol39/CM39_1065.pdf 
The Canadian Mineralogist 39 (2001) 1065-1071
The crystal structure of fencooperite: Unique [Fe3O13] pinwheels
cross-connected by [Si8O22] islands
_database_code_amcsd 0005724
10.7409 10.7409 7.0955 90 90 120 P3m1
atom      x      y     z occ  Uiso U(1,1)  U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .82749 .17251     0     .0216  .0101   .0101  .0447  .0053 -.0003  .0003
Ba2  .51607 .48393 .5006     .0134  .0132   .0132  .0091  .0032  .0001 -.0001
Fe    .4373  .5627 .0010     .0098  .0075   .0075  .0115  .0015 -.0002  .0002
Si1       0      0 .7218      .007   .005    .005   .010  .0027      0      0
Si2   .1678  .3356 .7284     .0092   .015    .007   .002  .0036  .0008   .002
Si3       0      0 .2789      .008   .010    .010   .004  .0053      0      0
Si4   .1669  .8331 .2704     .0118   .020    .020   .006   .019  .0011 -.0011
C1      2/3    1/3  .181      .049
C2      2/3    1/3  .716      .039
O1        0      0  .498      .047   .065    .065   .009   .032      0      0
O2    .0822  .1644  .797      .019   .030    .014   .008   .007   .002   .005
O3    .3316 -.0777  .804      .024   .014    .036   .025   .014   .011   .017
O4     .167   .334  .505      .060   .119    .019   .007   .010  -.002  -.004
O5    .0819  .1638  .199      .012   .015    .011   .009   .006  -.001  -.002
O6    .5933 -.0769  .196      .019   .011    .025   .023   .010   .000  -.011
O7      1/3    2/3 -.006      .018   .007    .007   .041   .003      0      0
O8    .5972  .4028  .176      .062   .041    .041   .100   .018   .008  -.008
O9    .7366  .2634  .711      .036   .027    .027   .055  .0014   .004  -.004
OW10    1/3    2/3  .504      .048   .052    .052   .041   .026      0      0
Cl    .8361  .1639  .501 .54  .034   .031    .031   .032   .008  -.000   .000
OH    .8361  .1639  .501 .46  .034   .031    .031   .032   .008  -.000   .000


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	Total number of retrieved datasets: 1

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