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American Mineralogist Crystal Structure Database

2 matching records for this search.

Damaraite
Download hom/damaraite.pdf
Krivovichev S V, Burns P C
 
European Journal of Mineralogy 13 (2001) 801-809
Crystal chemistry of lead oxide chlorides. I. Crystal structures of
synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl
_database_code_amcsd 0006899
5.8052 6.9025 15.141 90 90 90 Pmc2_1
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    1/2 .7075 .6803 .019   .020   .016   .021      0      0  -.002
Pb2    1/2 .2046 .6265 .018   .020   .015   .019      0      0   .002
Pb3    1/2 .5866 .9144 .022   .019   .033   .014      0      0  -.004
Pb4      0 .5348 .5542 .017   .018   .017   .015      0      0   .001
Pb5      0 .3762 .7804 .018   .019   .023   .014      0      0   .003
Pb6      0 .0737 .4436 .018   .020   .016   .019      0      0  -.001
O1   .2520 .7190 .0018 .017   .015   .023   .013   .001  -.002   .004
O2   .2480 .4600 .6722 .021   .019   .021   .023  -.004  -.007   .004
OH3      0 .7070  .826 .030   .028   .036   .026      0      0  -.014
OH4    1/2 .6640 .5220 .039   .045   .026   .046      0      0  -.017
Cl1      0 -.028 .6531 .026   .021   .033   .024      0      0   .001
Cl2    1/2 -.051 .3516 .042   .056   .041   .030      0      0   .006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Damaraite
Download hom/damaraite.pdf
Keller P, Lissner F, Schleid T
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 326-336
Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula
Locality: Kombat mine, Namibia
_database_code_amcsd 0014912
5.813 6.921 15.192 90 90 90 Pmc2_1
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1     .5 .41368 .30349 .0194  .0175  .0302  .0104 -.0041      0      0
Pb2     .5 .20455 .09124 .0156  .0187  .0125  .0155 -.0013      0      0
Pb3     .5 .29299 .53775 .0158  .0181  .0126  .0168 -.0015      0      0
Pb4      0 .46542 .66357 .0153  .0179   .015  .0131  .0019      0      0
Pb5      0 .37603 .93753 .0169  .0176  .0214  .0116 -.0036      0      0
Pb6      0 .07363 .27427 .0153  .0184  .0125   .015  .0022      0      0
O1   .2496  .4571  .0425 .0180  .0205  .0126  .0208 -.0045  .0043 -.0011
O2   .2520  .2850  .2123 .0250  .0285  .0307  .0159  .0101 -.0049 -.0012
Oh3     .5  .3328  .6914 .0253  .0472  .0119  .0166  .0009      0      0
Oh4      0  .2951  .3908 .0491  .0674  .0528  .0269 -.0225      0      0
Cl1      0  .0295  .5607 .0306  .0285  .0392   .024  .0049      0      0
Cl2     .5  .0541  .8641 .0366  .0365  .0431  .0301  .0055      0      0
H1      .5   .210   .729   .02
H2       0   .177   .442   .02
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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