American Mineralogist Crystal Structure Database

1 matching records for this search.

Wooldridgeite
Download hom/wooldridgeite.pdf
Cooper M A, Hawthorne F C
Download cm/vol37/CM37_73.pdf
The Canadian Mineralogist 37 (1999) 73-81
The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10,
a novel copper pyrophosphate mineral
_database_code_amcsd 0005593
11.938 32.854 11.017 90 90 90 Fdd2
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0      0     0 .015   .015   .017   .014   .003      0      0
Na   .2143  .0974 .0959 .049   .064   .062   .022  -.034   .017  -.007
Cu   .1201 .13964 .6000 .019   .020   .021   .017   .010   .007   .009
P1   .0457  .1811 .3560 .018   .020   .021   .015  -.004   .004   .000
P2   .1413  .0705 .8009 .017   .018   .018   .017   .000   .003   .003
O1   .1986  .0470  .685 .018   .017   .023   .013   .000  -.003  -.002
O2   .0870  .2128  .268 .021   .019   .026   .018  -.006  -.001   .006
O3   .1374  .1687  .445 .027   .024   .039   .019   .014   .005   .006
O4   .2401  .1045  .544 .031   .034   .035   .025   .023   .017   .016
O5   .0916  .1096  .751 .027   .036   .022   .022   .008   .017   .011
O6   .2355  .0781  .893 .028   .027   .035   .022  -.009  -.002  -.008
O7   .0555  .0412  .847 .022   .025   .025   .017  -.012   .003  -.001
Wat1 .0840  .0437  .158 .024   .019   .027   .025  -.002   .003  -.004
Wat2  .042  .1388  .046 .050   .061   .054   .036  -.008   .011  -.004
Wat3  .129  .2119  .924 .044   .042   .045   .045   .003  -.006  -.014
Wat4  .230  .1869  .710 .072   .059   .108   .049  -.046   .020  -.029
Wat5 .1562  .0125  .376 .035   .028   .038   .038  -.002  -.010  -.004
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