American Mineralogist Crystal Structure Database

2 matching records for this search.

Bideauxite
Download hom/bideauxite.pdf
Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
Download cm/vol37/CM37_915.pdf
The Canadian Mineralogist 37 (1999) 915-921
Stereoactive lone-pair behavior of Pb in the crystal structure of
bideauxite: Pb2AgCl3F(OH)
Sample: CH
_database_code_amcsd 0005624
14.1273 14.1273 14.1273 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .22185 .22185 .22185      .0206  .0206  .0206 -.0038 -.0038 -.0038
Ag      1/2    1/2    1/2      .0340  .0340  .0340  .0101  .0101  .0101
Cl    .8380    1/8    1/8      .0360  .0219  .0219      0      0 -.0014
OH    .0548  .0548  .0548  .5  .0158  .0158  .0158 -.0012 -.0012 -.0012
F     .0548  .0548  .0548  .5  .0158  .0158  .0158 -.0012 -.0012 -.0012
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Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bideauxite
Download hom/bideauxite.pdf
Cooper M A, Hawthorne F C, Merlino S, Pasero M, Perchiazzi N
Download cm/vol37/CM37_915.pdf
The Canadian Mineralogist 37 (1999) 915-921
Stereoactive lone-pair behavior of Pb in the crystal structure of
bideauxite: Pb2AgCl3F(OH)
Sample MPP
_database_code_amcsd 0005625
14.1376 14.1376 14.1376 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb   .22192 .22192 .22192      .0303  .0303  .0303 -.0040 -.0040 -.0040
Ag      1/2    1/2    1/2      .0446  .0446  .0446  .0110  .0110  .0110
Cl    .8375    1/8    1/8      .0444  .0317  .0317      0      0 -.0002
OH    .0539  .0539  .0539  .5  .0243  .0243  .0243 -.0005 -.0005 -.0005
F     .0539  .0539  .0539  .5  .0243  .0243  .0243 -.0005 -.0005 -.0005
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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