American Mineralogist Crystal Structure Database

2 matching records for this search.

Jakobssonite
 
Hemon A, Courbion G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=1302
Acta Crystallographica C47 (1991) 1302-1303
Refinement of the room-temperature structure of alpha-CaAlF5
_cod_database_code 1000300
_database_code_amcsd 0010259
8.712 6.317 7.349 90 115.04 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .5424   .25  .0074  .0077  .0068      0  .0031     .0
Al       0     0     0  .0068  .0059  .0058 -.0002  .0029  .0001
F1       0 .9422   .25  .0207  .0110  .0085      0  .0089      0
F2   .0114 .7169 .9737  .0223  .0066  .0114  .0006  .0098 -.0006
F3   .7789 .9822 .8870  .0070  .0243  .0191 -.0011  .0029  .0000
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Jakobssonite
 
Balic-Zunic T, Garavelli A, Mitolo D, Acquafredda P, Leonardsen E
 
Mineralogical Magazine 76 (2012) 751-760
Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla
volcanoes, Iceland
Locality: Hekla volcano, Iceland
_database_code_amcsd 0019194
8.601 6.2903 7.2190 90 114.61 90 C2/c
atom    x    y    z occ Biso
Ca      0 .544  .25 .66  .55
Al      0    0    0       .5
F1      0 .950  .25      1.1
F2   .034 .720 .988        1
F3   .770 .968 .870      1.3
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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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