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Alum-(Na) |
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Cromer D T, Kay M I, Larson A C |
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Acta Crystallographica 22 (1967) 182-187 |
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Refinement of the alum structures. II. X-ray and neutron diffraction of |
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NaAl(SO4)2*12H2O, gamma alum |
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Locality: synthetic |
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_database_code_amcsd 0009307 |
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12.213 12.213 12.213 90 90 90 Pa3 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na .5 .5 .5 .00412 .00412 .00412 -.00030 -.00030 -.00030 |
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Al 0 0 0 .00284 .00284 .00284 .00050 .00050 .00050 |
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S .2652 .2652 .2652 .00397 .00397 .00397 .00044 .00044 .00044 |
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OSl .3343 .3343 .3343 .00687 .00687 .00687 -.00291 -.00291 -.00291 |
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OS2 .2957 .2783 .1508 .01417 .00724 .00535 -.00987 .00733 -.00168 |
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Ow3 .0767 .0403 .3188 .00619 .00591 .00419 -.00367 .00048 .00110 |
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Ow4 .1371 .9596 .0573 .00338 .00438 .00498 .00077 -.00097 .00173 |
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H1 .585 .319 .378 3.4 |
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H2 .486 .308 .383 4.0 |
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H3 .555 .202 .502 3.2 |
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H4 .588 .339 .113 2.4 |
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| 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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Alum-(Na) |
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Larson A C, Cromer D T |
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Acta Crystallographica 22 (1967) 793-800 |
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Refinement of the alum structures. III. X-ray study of the a alums, |
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K, Rb and NH4Al(SO4)2*12H2O |
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Locality: Synthetic |
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_database_code_amcsd 0019047 |
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12.243 12.243 12.243 90 90 90 Pa3 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Rb .5 .5 .5 .0050 .0050 .0050 .0031 .0031 .0031 |
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Al 0 0 0 .0025 .0025 .0025 .0011 .0011 .0011 |
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S .3127 .3127 .3127 .0028 .0028 .0028 -.0006 -.0006 -.0006 |
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O(1) .2471 .2471 .2471 .0117 .0117 .0117 .0056 .0056 .0056 |
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O(2) .3172 .2639 .4237 .0058 .0126 .0038 .0064 -.0016 .0072 |
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Wat(1) .0451 .1406 .2975 .0039 .0030 .0016 .0001 -.0001 .0001 |
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Wat(2) .0173 -.0148 .1554 .0011 .0040 .0013 .0006 .0015 -.0015 |
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| 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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