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Paratacamite |
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Fleet M E |
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Acta Crystallographica B31 (1975) 183-187 |
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The crystal structure of paratacamite, Cu2(OH)3Cl |
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Sample: Ordered structure, considered to be the true structure |
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13.654 13.654 14.041 90 90 120 R-3 |
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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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Cu1 0 0 .5 .69 |
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Cu2 .5 .5 .5 .00159 .00184 .00102 .00087 .00001 -.00017 |
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Cu3 .4133 .3302 .3318 .00179 .00156 .00200 .00094 -.00011 .00019 |
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Cu4 .4119 .5778 .3326 .00145 .00134 .00107 .00064 -.00019 -.00011 |
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OH1 .5593 .6180 .4047 .58 |
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OH2 .564 .4322 .3908 .77 |
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OH3 .3666 .4284 .3905 2.51 |
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OH4 .0643 .1255 .3921 1.06 |
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Cl1 0 0 .1954 1.19 |
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Cl2 .5004 .5026 .1933 1.18 |
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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
|
| |
|
Paratacamite |
|
Fleet M E |
|
Acta Crystallographica B31 (1975) 183-187 |
|
The crystal structure of paratacamite, Cu2(OH)3Cl |
|
Sample: Substructure, can be considered as the average structure |
|
6.827 6.827 14.041 90 90 120 R-3 |
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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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Cu1 0 0 .5 .00639 .00639 .00095 .00319 0 0 |
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Cu2 .5 0 0 .00742 .00624 .00154 .00312 .00053 .00026 |
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O .2064 .7936 .0614 .01076 .00766 .00254 .00383 .00394 .00197 |
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Cl 0 0 .1938 .00912 .00912 .00137 .00456 0 0 |
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H .14 .28 .12 |
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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
|
| |
|
Paratacamite |
|
Fleet M E |
|
Acta Crystallographica B31 (1975) 183-187 |
|
The crystal structure of paratacamite, Cu2(OH)3Cl |
|
Sample: Substructure, with disordered oxygens |
|
6.827 6.827 14.041 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu1 0 0 .5 .00639 .00639 .00095 .00319 0 0 |
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Cu2 .5 0 0 .00742 .00624 .00154 .00312 .00053 .00026 |
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O1 .210 .790 .065 .76 |
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O2 .195 .805 .048 .24 |
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Cl 0 0 .1938 .00912 .00912 .00137 .00456 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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