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Sanguite |
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Willett R D, Dwiggins C, Kruth R F, Rundle R E |
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Journal of Chemical Physics 38 (1963) 2429-2436 |
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Crystal strucutres of KCuCl3 and NH4CuCl3 |
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Locality: synthetic |
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_database_code_amcsd 0019972 |
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4.029 13.785 8.736 90. 97.33 90. P2_1/c |
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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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K .7825 .17081 .55692 .0180 .00283 .00927 -.00071 -.00033 -.00039 |
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Cu .2408 .04976 .15750 .0136 .00184 .00601 .00085 -.00177 -.00038 |
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Cl1 .2754 .19875 .2630 .0195 .00205 .00744 .00111 -.00263 .00063 |
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Cl2 .6782 -.00745 .32171 .0132 .00244 .00588 .00087 .00096 .00015 |
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Cl3 -.1797 .09875 -.03369 .0205 .00215 .00594 .00086 -.00002 -.00036 |
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View JMOL 3-D Structure (permalink)
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