Hydroniumpharmacosiderite
Mills S J, Kampf A R, Williams P A, Leverett P, Poirier G, Raudsepp M, Francis C A
Mineralogical Magazine 74 (2010) 863-869
Hydroniumpharmacosiderite, a new member of the pharmacosiderite supergroup
from Cornwall, UK: structure and description
Locality: Cornwall, UK
_database_code_amcsd 0017882
7.9587 7.9587 7.9587 90 90 90 P-43m
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .0     .5 .13  .046
Fe   .14345 .14345 .14345     .0123  .0123  .0123  .0123 -.0016 -.0016 -.0016
As       .5     .0     .0     .0208  .0070  .0277  .0277      0      0      0
O1    .1245  .1245  .3837     .0265  .0338  .0338  .0118  -.008 -.0004 -.0004
O2    .8857  .8857  .8857     .0116  .0116  .0116  .0116 -.0023 -.0023 -.0023
Wat3     .5   .106     .5 .25  .050
Wat4   .693   .693   .693 .25  .047
H3O4   .693   .693   .693 .45  .047
O4     .693   .693   .693 .15  .047
H2    .8283  .8283  .8283      .014