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Lanmuchangite |
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Nyburg S C, Steed J, Aleksovska S, Petrusevski V M |
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Acta Crystallographica B56 (2000) 204-209 |
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Structure of the alums. I. On the sulfate group disorder in the alpha-alums |
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Locality: synthetic |
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Sample: T = 296 K |
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_database_code_amcsd 0009915 |
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12.2305 12.2305 12.2305 90 90 90 Pa3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Tl .5 .5 .5 .0519 .0519 .0519 .0519 .0083 .0083 .0083 |
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Al 0 0 0 .0196 .0196 .0196 .0196 -.0002 -.0002 -.0002 |
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S .31138 .31138 .31138 .0259 .0259 .0259 .0259 .0037 .0037 .0037 |
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O3 .2434 .2434 .2434 .843 .0650 .0650 .0650 .0650 -.0166 -.0166 -.0166 |
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O3A .3779 .3779 .3779 .157 .1300 .130 .130 .130 -.052 -.052 -.052 |
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O4 .2676 .4232 .3157 .843 .0465 .0640 .0342 .0417 .0240 .0205 .0103 |
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O4A .2918 .2065 .368 .157 .0640 .067 .044 .082 .026 .052 .040 |
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O1 .1521 .01508 -.0144 .0284 .0226 .0355 .0271 -.0034 .0007 .0021 |
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O2 .04606 .13994 .29729 .0405 .0457 .0351 .0408 .0025 -.0076 -.0060 |
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H11 .176 .028 -.066 .037 |
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H12 .192 .018 .038 .040 |
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H21 .1140 .1732 .293 .104 |
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H22 .004 .1919 .2958 .120 |
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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) |
| |
|
Lanmuchangite |
|
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M |
|
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 |
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_database_code_amcsd 0009916 |
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12.2070 12.2070 12.2070 90 90 90 Pa3 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Tl .5 .5 .5 .0314 .0314 .0314 .0314 .0087 .0087 .0087 |
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Al 0 0 0 .0101 .0101 .0101 .0101 -.0001 -.0001 -.0001 |
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S .31104 .31104 .31104 .0135 .0135 .0135 .0135 .0025 .0025 .0025 |
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O3 .2420 .2420 .2420 .940 .0328 .0328 .0328 .0328 -.0061 -.0061 -.0061 |
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O3A .377 .377 .377 .060 .0500 .050 .050 .050 -.030 -.030 -.030 |
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O4 .2666 .42301 .31399 .940 .0261 .0372 .0198 .0213 .0164 .0112 .0057 |
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O4A .282 .201 .368 .060 .0100 .019 .000 .010 .008 .010 .016 |
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O1 .1526 .01481 -.0146 .0159 .0121 .0213 .0142 -.0027 .0009 .0018 |
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O2 .0469 .13812 .29852 .0220 .0235 .0201 .0225 .0033 -.0039 -.0012 |
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H11 .174 .034 -.068 .033 |
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H12 .194 .024 .042 .037 |
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H21 .115 .159 .296 .045 |
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H22 .005 .183 .293 .041 |
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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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