American Mineralogist Crystal Structure Database

1 matching records for this search.

Whelanite
 
Kampf A R, Mills S J, Merlino S, Pasero M, McDonald A M, Wray W B, Hindman J R
 
American Mineralogist 97 (2012) 2007-2015
Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from
the Bawana mine, Milford, Utah
Note: not all atoms could be located
Locality: the Bawana mine, Milford, Utah
_database_code_amcsd 0019727
5.6551 3.683 27.1372 90 90 90 Pn2n
atom     x    y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu       0    0      0 .920 .0161  .0084  .0238  .0160      0  .0012      0
Ca1     .5 .504      0      .0166  .0145  .0161  .0192      0 -.0009      0
Ca2  .6498 .999 .78612      .0121  .0111  .0085  .0165  -.003 -.0005  -.007
Si1A  .650 .097  .6730  .50 .0100
Si1B  .652 .932  .6733  .50 .0100
Si2  .8015 .514 .59994  .50 .0128
O1   .3767 .501 .79316      .0124   .012   .014   .011   .005   .002   .006
O2   .9147 .498 .79607      .0165   .011   .015   .024  -.002   .002   .005
O3   .6983 .009 .03921      .0178   .015   .021   .018   .001   .002   .004
O4   .3914 .007  .1224       .051   .076   .054   .024   .002  -.007  -.017
O5   .1627 .668  .0440       .039   .020   .058   .039   .004  -.002   .017
O6A   .664 .843  .6234  .50  .015
O6B   .668 .132  .6184  .50  .015
O7   .6448 .511  .6515  .50  .013
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