American Mineralogist Crystal Structure Database

1 matching records for this search.

Kapundaite
 
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A,
Raudsepp M, Chen Y S
 
American Mineralogist 95 (2010) 754-760
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from
Toms quarry, South Australia: Description and structural
relationship to melonjosephite
Locality: Toms quarry, South Australia
_database_code_amcsd 0018799
6.317 7.698 9.768 105.53 99.24 90.09 P-1
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    .439 .7184 .4298 .67 .056    .12   .016   .028   .004   .009   .008
Ca    .439 .7184 .4298 .33 .056    .12   .016   .028   .004   .009   .008
Fe1     .5     0     0     .013    .02   .018   .004  -.009   .002   .003
Fe2      0     0     0     .017    .03   .017   .003   .003   .002   .004
Fe3  .7976 .6972 .1730     .024    .02   .016   .033  -.003   .010   .003
P1    .177 .8785 .7118     .015    .01   .013   .026   .005   .009   .005
P2    .278 .6868 .1002     .021    .02   .012   .033   .002   .006   .010
O1    .832  .940  .323     .021    .02   .020   .024  -.010  -.003   .008
O2    .157  .723  .572     .023    .03   .015   .028   .001   .014  -.001
O3    .011  .143  .204     .034    .06   .019   .029   .002   .018   .007
O4    .414  .861  .802     .046    .09   .019   .026  -.025  -.007   .004
O5    .482  .686  .191     .019
O6    .114  .683  .195     .020
O7    .771  .463  .038     .024
O8    .262  .871  .059     .017    .01   .018   .031   .002   .009   .012
OH    .242  .165  .976     .027    .03   .029   .027  -.013  -.003   .013
Wat1  .831  .611  .372     .035    .07   .024   .023   .002   .007   .019
Wat2  .351  .394  .349      .05    .08   .044   .036   -.02   .005   .004
Wat3  .669  .979  .584      .06    .11   .011   .054    .02   .005   .013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 1
View in amc, download in amc

Return to AMCSD Home Page