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Tschermigite |
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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 0019048 |
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12.240 12.240 12.240 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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N .5 .5 .5 .0059 .0059 .0059 .0020 .0020 .0020 |
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Al 0 0 0 .0026 .0026 .0026 .0006 .0006 .0006 |
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S .3090 .3090 .3090 .0027 .0027 .0027 .0011 .0011 .0011 |
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O(1) .2408 .2408 .2408 .0155 .0155 .0155 -.0041 -.0041 -.0041 |
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O(2) .3142 .2607 .4173 .0083 .0170 .0037 .0122 .0037 .0153 |
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Wat(l) .0456 .1383 .2977 .0054 .0024 .0030 .0007 .0009 -.0006 |
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Wat(2) .0184 -.0169 .1546 .0020 .0057 .0005 -.0010 -.0003 .0008 |
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Tschermigite |
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Abdeen A M, Will G, Schaefer W, Kirfel A, Bargouth M O, Recker K, Weiss A |
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Zeitschrift fur Kristallographie 157 (1981) 147-166 |
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X-ray and neutron diffraction study of alums |
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II. The crystal structure of methylammonium aluminium alum |
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III. The crystal structure of ammonium aluminium alum |
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Locality: synthetic |
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Sample: X-ray data |
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_database_code_amcsd 0010843 |
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12.242 12.242 12.242 90 90 90 Pa3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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N .5082 .5082 .5082 .5 2.88 .0048 .0048 .0048 .0003 .0003 .0003 |
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Al 0 0 0 1.68 .0027 .0027 .0027 0 0 0 |
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S .3083 .3083 .3083 2.04 .0034 .0034 .0034 .0006 .0006 .0006 |
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Os1 .2401 .2401 .2401 .831 4.68 .0078 .0078 .0078 -.0021 -.0021 -.0021 |
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Os2 .3130 .2652 .4199 .831 3.68 .0055 .0084 .0045 .0030 .0012 .0033 |
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Os1' .3709 .3709 .3709 .169 8.93 .0149 .0149 .0149 -.0062 -.0062 -.0062 |
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Os2' .2098 .3701 .2889 .169 8.41 .0100 .0218 .0103 .0142 .0053 .0134 |
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Wat1 .0171 -.0162 .1520 2.24 .0047 .0038 .0027 .0001 -.0003 .0001 |
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Wat2 .0454 .1377 .2979 3.22 .0059 .0047 .0055 .0005 -.0011 -.0009 |
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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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Tschermigite |
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Abdeen A M, Will G, Schafer W, Kirfel A, Bargouth M O, Recker K, Weiss A |
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Zeitschrift fur Kristallographie 157 (1981) 147-166 |
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X-ray and neutron diffraction study of alums: |
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II. The crystal structure of methylammonium aluminium alum |
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III. The crystal structure of ammonium aluminium alum |
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Note: Neutron data |
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_database_code_amcsd 0010844 |
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12.248 12.248 12.248 90 90 90 Pa3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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N .5070 .5070 .5070 .5 1.62 .0027 .0027 .0027 -.0013 -.0013 -.0013 |
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Hn1 .4389 .4389 .4389 .5 10.73 .0179 .0179 .0179 .0095 .0095 .0095 |
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Hn2 .4375 .4969 .5314 .5 8.07 .0116 .0251 .0037 -.0010 .0028 -.0054 |
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Al 0 0 0 1.92 .0032 .0032 .0032 0 0 0 |
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S .3111 .3111 .3111 4.02 .0067 .0067 .0067 .0012 .0012 .0012 |
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O1A .2385 .2385 .2385 .831 5.69 .0095 .0095 .0095 .0001 .0001 .0001 |
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O1B .3831 .3831 .3831 .169 9.65 .0161 .0161 .0161 -.0077 -.0077 -.0077 |
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O2A .3137 .2640 .4199 .831 3.59 .0045 .0083 .0052 .0029 .0020 .0036 |
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O2B .2105 .3556 .2823 .169 11.33 .0058 .0367 .0142 .0072 -.0021 .0090 |
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Ow1 .0177 .9829 .1530 2.38 .0057 .0022 .0040 -.0010 .0005 -.0011 |
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Ow2 .0442 .1367 .2990 3.18 .0063 .0034 .0062 -.0005 .0019 -.0007 |
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H1 .0275 .0432 .2059 3.70 .0056 .0087 .0042 -.0001 -.0001 .0006 |
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H2 .0429 .9171 .1874 3.28 .0085 .0042 .0037 .0007 -.0035 .0006 |
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H3 .9958 .1965 .2834 4.86 .0090 .0089 .0064 .0012 -.0021 -.0005 |
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H4 .1182 .1676 .2937 6.19 .0092 .0085 .0132 .0004 -.0059 -.0040 |
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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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