American Mineralogist Crystal Structure Database

2 matching records for this search.

Geschieberite
 
Niinisto L, Toivonen J, Valkonen J
 
Acta Chemica Scandinavica A33 (1979) 621-624
Uranyl(VI) compounds. II. The crystal structure of
potassium uranyl sulfate dihydrate, K2UO2(SO4)2*2H2O
Locality: synthetic
_database_code_amcsd 0020637
13.806 11.577 7.292 90 90 90 Pnma
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .4298 .4624 .2380       .0148  .0443  .0211  .0025 -.0003  .0061
U    .7446   .25 .5857       .0106  .0038  .0067      0 -.0003      0
S    .6761 .4701 .2563       .0148  .0080  .0087  .0001 -.0006  .0007
O1   .6173   .25 .6057 .014
O2   .8702   .25 .5700 .014
O3   .7512 .4357 .7095 .013
O4   .7405 .3746 .3278 .012
O5   .6053 .5109 .3926 .023
O6   .6288 .4293 .0875 .020
Wat7 .7369   .25 .9305 .018
Wat8 .4334   .25 .3956 .042
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View JMOL 3-D Structure (permalink)
 
Geschieberite
 
Alekseev E V, Suleimanov E V, Chuprunov E V, Marychev M O, Ivanov V A, Fukin G K
 
Crystallography Reports 51 (2006) 29-33
Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O
compound at 293 K
Locality: Synthetic
_database_code_amcsd 0020465
13.773 7.288 11.556 90 90 90 Pna2_1
atom        x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1     .93060 -.23782  .54651  .0263  .0092  .0245  .0453   .0016 -.0034  .0033
K2     .92862 -.23892  .97288  .0210  .0162  .0100  .0369  -.0007  .0011 -.0058
U1    .744807 .085624  .76040 .00437 .00702 .00439 .00171 -.00029 .00187 .00210
S1     .82327  .25669  .47873  .0060  .0085  .0045  .0050   .0005  .0001  .0010
S2     .82366  .25576 1.03854  .0067  .0088  .0058  .0054  -.0010 -.0002 -.0013
O1      .8722   .0677   .7603  .0155  .0146  .0162  .0157  -.0002  .0000 -.0001
O2      .6172   .1029   .7633  .0130  .0127  .0136  .0127  -.0008  .0000  .0000
O3      .7521   .1947   .9507  .0104  .0115  .0103  .0095  -.0007 -.0009 -.0002
O4      .7529   .2208   .5769  .0050  .0064  .0042  .0044  -.0002  .0015  .0004
O5      .7682   .3273   .3825  .0171  .0177  .0171  .0165   .0004  .0002  .0012
O6      .7571   .3288  1.1354  .0023  .0031  .0026  .0011   .0002 -.0005 -.0015
Wat7    .7356   .4311   .7637  .0152  .0172  .0137  .0147   .0007 -.0003  .0004
O8      .8943   .3938   .5104  .0114  .0114  .0108  .0118  -.0019 -.0008 -.0002
O9      .8662   .0821   .4388  .0119  .0121  .0110  .0127   .0015  .0001 -.0018
O10     .8901   .3909   .9910  .0173  .0175  .0166  .0177  -.0015  .0010  .0003
O11     .8785   .0946  1.0758  .0130  .0130  .0121  .0140   .0008  .0000  .0013
Wat12   .9306  -.3996   .7579  .0296  .0272  .0348  .0267   .0042   .001   .004
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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