American Mineralogist Crystal Structure Database

3 matching records for this search.

Alum-(K)
Download hom/alumk.pdf
Larson A C, Cromer D T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=22&spage=793
Acta Crystallographica 22 (1967) 793-800
Refinement of the alum structures. III. X-ray study of the a alums,
K, Rb and NH4Al(SO4)2*12H2O
Locality: Synthetic
_database_code_amcsd 0019046
12.157 12.157 12.157 90 90 90 Pa3
atom       x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K         .5     .5    .5 .70  2.6
K'      .485   .485  .485 .30  2.9
Al         0      0     0           .0023  .0023  .0023  .0014  .0014  .0014
S      .3075  .3075 .3075           .0029  .0029  .0029  .0003  .0003  .0003
O(1)   .2388  .2388 .2388 .70       .0096  .0096  .0096 -.0028 -.0028 -.0028
O(1)'  .3729  .3729 .3729 .30  6.3
O(2)   .3105  .2648 .4228 .70       .0071  .0057  .0031  .0036 -.0004  .0044
O(2)'  .2038  .3736 .2901 .30  3.2
Wat(1) .0465  .1353 .3007           .0048  .0035  .0025  .0002  .0009 -.0005
Wat(2) .0206 -.0190 .1544           .0022  .0040  .0017  .0004  .0004 -.0006
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Alum-(K)
Download hom/alumk.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 296 K
_database_code_amcsd 0009911
12.1640 12.1640 12.1640 90 90 90 Pa3
atom      x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5      .5      .0492  .0492  .0492  .0492  .0104  .0104  .0104
Al        0      0       0      .0208  .0208  .0208  .0208 -.0004 -.0004 -.0004
S    .30764 .30764  .30764      .0265  .0265  .0265  .0265  .0037  .0034  .0037
O3   .23898 .23898  .23898 .697 .0633  .0633  .0633  .0633 -.0121 -.0121 -.0121
O3A   .3749  .3749   .3749 .303 .0820   .082   .082   .082  -.028  -.028  -.028
O4    .2648 .42078  .30973 .697 .0479  .0620  .0378   .044  .0213  .0212  .0115
O4A   .2853  .2042   .3643 .303 .0501   .048   .037   .066   .012   .023   .027
O1   .15176 .01980 -.01855      .0308  .0237  .0385  .0303 -.0046  .0013  .0013
O2   .04633 .13357  .30258      .0417  .0443  .0396  .0413  .0008 -.0050 -.0052
H11   .1752  .0350  -.0683       .044
H12    .198   .025    .038       .061
H21    .104   .160    .299       .077
H22    .008   .184    .290       .060
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alum-(K)
Download hom/alumk.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 173 K
_database_code_amcsd 0009912
12.1350 12.1350 12.1350 90 90 90 Pa3
atom      x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5      .5      .0271  .0271  .0271  .0271  .0082  .0082  .0082
Al        0      0       0      .0130  .0130  .0130  .0130  .0001  .0001  .0001
S    .30610 .30610  .30610      .0150  .0150  .0150  .0150  .0018  .0018  .0018
O3   .23606 .23606  .23606 .787 .0294  .0294  .0294  .0294 -.0038 -.0038 -.0038
O3A   .3746  .3746   .3746 .213 .0226   .023   .023   .023  -.007  -.007  -.007
O4   .26302 .41979  .30624 .787 .0240  .0299  .0194  .0226  .0088  .0074  .0044
O4A   .2808  .2000   .3614 .213 .0185   .019   .016   .020   .002   .004   .009
O1   .15173 .02080 -.01985      .0191  .0150  .0231  .0190 -.0021  .0007  .0014
O2   .04692 .13071  .30399      .0232  .0233  .0227  .0235  .0007  .0022 -.0011
H11   .1750  .0365  -.0726       .034
H12   .1982  .0262    .034       .048
H21    .104   .155   .3000       .044
H22   .0009  .1821   .2914       .042
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: 3
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