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American Mineralogist Crystal Structure Database

1 matching records for this search.

Ercitite
  
Cooper M A, Hawthorne F C, Cerny P
Download cm/vol47/CM47_173.pdf 
The Canadian Mineralogist 47 (2009) 173-180
The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2],
and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2]
Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada
_database_code_amcsd 0006278
6.2499 8.7479 19.9554 90 90 90 Cmca
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5 .3132 .34717 .89 .0205  .0183  .0275  .0155      0      0  .0045
Ca      .5 .3132 .34717 .04 .0205  .0183  .0275  .0155      0      0  .0045
Mn1    .25   .25     .5 .53 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Fe1    .25   .25     .5 .43 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Al1    .25   .25     .5 .01 .0097  .0075  .0119  .0097  .0001 -.0003  .0011
Mn2    .75  .560    .25 .07  .029   .034   .033   .018      0   .004      0
P       .5 .4767 .09528     .0093  .0102  .0085  .0093      0      0 -.0009
O1      .5 .6282  .0540     .0154   .025   .013   .009      0      0   .001
OH2     .5 .3673  .5267     .0093   .009   .008   .011      0      0   .001
O3      .5 .5198  .1688     .0184   .022   .026   .007      0      0  -.002
O4   .2976 .3845 .07732     .0119   .008  .0156  .0117  .0003  .0003 -.0030
O5w    .75 .3280    .25     .0344   .018   .063   .022      0  -.002      0
O6w     .5 .5921  .3326     .0235   .023   .026   .022      0      0  -.001
H1    .648 .3936   .226        .1
H2   .6272  .650   .319        .1


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