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Pahasapaite |
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Rouse R C, Peacor D R, Merlino S |
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American Mineralogist 74 (1989) 1195-1202 |
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Crystal structure of pahasapaite, a beryllophosphate mineral with a distorted |
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zeolite rho framework |
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13.781 13.781 13.781 90 90 90 I23 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .3615 .0357 .0301 .229 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Li1 .3615 .0357 .0301 .150 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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K1 .3615 .0357 .0301 .050 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Na1 .3615 .0357 .0301 .008 0.057 0.042 0.040 -0.012 -0.015 0.013 |
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Li2 .3013 .3013 .3013 0.024 0.024 0.024 0.002 0.002 0.002 |
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P .2771 .1240 .4224 0.009 0.008 0.010 0.000 0.003 0.000 |
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Be .4207 .1210 .2675 0.012 0.006 0.011 0.000 0.007 0.000 |
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O1 .2246 .2178 .3914 0.010 0.010 0.016 -0.002 0.001 0.001 |
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O2 .3781 .1245 .3766 0.012 0.020 0.012 0.003 0.002 0.001 |
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O3 .3791 .0329 .2041 0.016 0.013 0.016 0.001 -0.004 -0.001 |
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O4 .2160 .0383 .3889 0.018 0.010 0.016 -0.001 -0.004 0.001 |
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Wat1 .3851 .3851 .3851 0.039 0.039 0.039 -0.008 -0.008 -0.008 |
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Wat2 .4768 0 0 .5 0.015 0.039 0.010 0 0 0.023 |
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Wat3 .2171 .1095 .0714 .5 0.032 0.069 0.051 0.006 0.019 0.007 |
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Wat4 .2459 .0765 .0504 .5 0.058 0.093 0.099 0.026 0.046 0.035 |
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