American Mineralogist Crystal Structure Database

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Barlowite
 
Elliott P, Cooper M A, Pring A
 
Mineralogical Magazine 78 (2014) 1755-1762
Barlowite, Cu4FBr(OH)6, a new mineral isostructural with claringbullite:
description and crystal structure
Locality: Great Australia mine, Cloncurry, Queensland, Australia
_database_code_amcsd 0020634
6.6786 6.6786 9.2744 90 90 120 P6_3/mmc
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Cu1      .5      0      0      .01449 .01064  .0100  .0226 .00498 -.00191 -.00382
Cu2  .37107  .7421    .75  .33  .0123  .0113  .0179  .0098  .0090       0       0
Br      2/3    1/3    .75  .95  .0184  .0201  .0201  .0151 .01003       0       0
Cl      2/3    1/3    .75  .09  .0184  .0201  .0201  .0151 .01003       0       0
F         0      0    .75       .0250  .0212  .0212   .033  .0106       0       0
O    .20189 .79811 .90797 .975  .0125  .0108  .0108  .0159  .0054  -.0009   .0009
H     .1225  .8775   .871 .975   .044
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