American Mineralogist Crystal Structure Database

2 matching records for this search.

Painite
Download hom/painite.pdf
Moore P B, Araki T
Download am/vol61/AM61_88.pdf
American Mineralogist 61 (1976) 88-94
Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite,
B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9]
_database_code_amcsd 0000495
8.715 8.715 8.472 90 90 120 P6_3
atom     x     y     z Biso
Zr     2/3   1/3   1/4  .57
Ca       0     0 .4929 1.23
Al1  .3329 .3373 .7490  .61
Al2  .3425 .3625 .0791  .63
Al3  .3437 .3596 .4224  .54
B    .3333 .6667 .2495  .84
O1   .3992 .5518 .2495  .81
O2   .4052 .5237 .5919  .69
O3   .4060 .5235 .9070  .54
O4   .3281 .2186 .2503  .69
O5   .3019 .1935 .5807  .58
O6   .2983 .1912 .9165  .73
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Painite
Download hom/painite.pdf
Armbruster T, Dobelin N, Peretti A, Gunther D, Reusser E, Grobety B
Download am/vol89/AM89_610.pdf
American Mineralogist 89 (2004) 610-613
The crystal structure of painite CaZrB[Al9O18] revisited
Locality: Mogok
_database_code_amcsd 0003470
8.724 8.724 8.464 90 90 120 P6_3/m
atom       x       y      z occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca         0       0      0 .77 1.148  .0059  .0059  .0318 .00295      0      0
Na         0       0      0 .19 1.148  .0059  .0059  .0318 .00295      0      0
Zr       2/3     1/3    .25 .94  .277 .00342 .00342 .00368 .00171      0      0
Hf       2/3     1/3    .25 .01  .277 .00342 .00342 .00368 .00171      0      0
V        2/3     1/3    .25 .01  .277 .00342 .00342 .00368 .00171      0      0
Cr       2/3     1/3    .25 .03  .277 .00342 .00342 .00368 .00171      0      0
B        1/3    -1/3    .25       .41  .0048  .0048  .0061  .0024      0      0
Al1   .34290  .36082 .07794 .98  .314 .00351 .00449 .00386 .00194 .00000 .00045
Ti1   .34290  .36082 .07794 .02  .314 .00351 .00449 .00386 .00194 .00000 .00045
Al2   .33656  .00426    .25 .98  .344 .00400 .00418  .0042 .00151      0      0
Ti2   .33656  .00426    .25 .02  .344 .00400 .00418  .0042 .00151      0      0
O1    .88145  .40477 .09293      .381  .0049  .0046  .0050  .0023  .0005  .0002
O2    .19303 -.10735 .08217      .405  .0047  .0047  .0050  .0016 -.0002  .0000
O3   -.11034 -.32921    .25      .474  .0055  .0090  .0048  .0046      0      0
O4    .44764 -.15362    .25      .452  .0050  .0039  .0077  .0019      0      0
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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