American Mineralogist Crystal Structure Database

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Pahasapaite
Download hom/pahasapaite.pdf
Rouse R C, Peacor D R, Merlino S
Download am/vol74/AM74_1195.pdf
American Mineralogist 74 (1989) 1195-1202
Crystal structure of pahasapaite, a beryllophosphate mineral with a
distorted zeolite rho framework
Locality: Tip Top mine, Custer, South Dakota, USA
_database_code_amcsd 0001280
13.781 13.781 13.781 90 90 90 I23
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .3615 .0357 .0301 .229  0.057  0.042  0.040 -0.012 -0.015  0.013
Li1  .3615 .0357 .0301 .150  0.057  0.042  0.040 -0.012 -0.015  0.013
K1   .3615 .0357 .0301 .050  0.057  0.042  0.040 -0.012 -0.015  0.013
Na1  .3615 .0357 .0301 .008  0.057  0.042  0.040 -0.012 -0.015  0.013
Li2  .3013 .3013 .3013       0.024  0.024  0.024  0.002  0.002  0.002
P    .2771 .1240 .4224       0.009  0.008  0.010  0.000  0.003  0.000
Be   .4207 .1210 .2675       0.012  0.006  0.011  0.000  0.007  0.000
O1   .2246 .2178 .3914       0.010  0.010  0.016 -0.002  0.001  0.001
O2   .3781 .1245 .3766       0.012  0.020  0.012  0.003  0.002  0.001
O3   .3791 .0329 .2041       0.016  0.013  0.016  0.001 -0.004 -0.001
O4   .2160 .0383 .3889       0.018  0.010  0.016 -0.001 -0.004  0.001
Wat1 .3851 .3851 .3851       0.039  0.039  0.039 -0.008 -0.008 -0.008
Wat2 .4768     0     0   .5  0.015  0.039  0.010      0      0  0.023
Wat3 .2171 .1095 .0714   .5  0.032  0.069  0.051  0.006  0.019  0.007
Wat4 .2459 .0765 .0504   .5  0.058  0.093  0.099  0.026  0.046  0.035
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