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Bideauxite |
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Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N |
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The Canadian Mineralogist 37 (1999) 915-921 |
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Stereoactive lone-pair behavior of Pb in the crystal structure of |
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bideauxite: Pb2AgCl3F(OH) |
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Sample: CH |
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_database_code_amcsd 0005624 |
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14.1273 14.1273 14.1273 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .22185 .22185 .22185 .0206 .0206 .0206 -.0038 -.0038 -.0038 |
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Ag 1/2 1/2 1/2 .0340 .0340 .0340 .0101 .0101 .0101 |
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Cl .8380 1/8 1/8 .0360 .0219 .0219 0 0 -.0014 |
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OH .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012 |
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F .0548 .0548 .0548 .5 .0158 .0158 .0158 -.0012 -.0012 -.0012 |
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| 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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Bideauxite |
|
Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N |
|
The Canadian Mineralogist 37 (1999) 915-921 |
|
Stereoactive lone-pair behavior of Pb in the crystal structure of |
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bideauxite: Pb2AgCl3F(OH) |
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Sample MPP |
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_database_code_amcsd 0005625 |
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14.1376 14.1376 14.1376 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb .22192 .22192 .22192 .0303 .0303 .0303 -.0040 -.0040 -.0040 |
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Ag 1/2 1/2 1/2 .0446 .0446 .0446 .0110 .0110 .0110 |
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Cl .8375 1/8 1/8 .0444 .0317 .0317 0 0 -.0002 |
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OH .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005 |
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F .0539 .0539 .0539 .5 .0243 .0243 .0243 -.0005 -.0005 -.0005 |
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| 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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