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Clinoptilolite-Ca |
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Smyth J R, Spaid A T, Bish D L |
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American Mineralogist 75 (1990) 522-528 |
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Crystal structures of a natural and a Cs-exchanged clinoptilolite |
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natural sample |
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_database_code_amcsd 0001304 |
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17.633 17.941 7.400 90 116.39 90 C2/m |
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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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Si1 .1789 .1705 .0953 .87 .00062 .00104 .0070 -.00004 .00063 .00018 |
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Al1 .1789 .1705 .0953 .13 .00062 .00104 .0070 -.00004 .00063 .00018 |
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Si2 .2131 .4104 .5030 .67 .00092 .00072 .0081 .00006 .00087 .00003 |
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Al2 .2131 .4104 .5030 .33 .00092 .00072 .0081 .00006 .00087 .00003 |
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Si3 .2080 .1907 .7152 .90 .00087 .00093 .0067 .00002 .00081 .00007 |
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Al3 .2080 .1907 .7152 .10 .00087 .00093 .0067 .00002 .00081 .00007 |
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Si4 .0654 .2989 .4129 .92 .00065 .00103 .0071 .00000 .00066 .0001 |
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Al4 .0654 .2989 .4129 .08 .00065 .00103 .0071 .00000 .00066 .0001 |
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Si5 0 .2160 0 .91 .00045 .00116 .0072 0 .0003 0 |
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Al5 0 .2160 0 .09 .00045 .00116 .0072 0 .0003 0 |
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Na1 .1478 0 .6661 .5 .0075 .0027 .0320 0 .0052 0 |
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Ca1 .1478 0 .6661 .5 .0075 .0027 .0320 0 .0052 0 |
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Na2 .0404 .5 .2167 .39 .0015 .0022 .0293 0 -.0004 0 |
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Ca2 .0404 .5 .2167 .39 .0015 .0022 .0293 0 -.0004 0 |
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K3 .2344 .5 .0252 .64 .0116 .0037 .0780 0 .0218 0 |
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O1 .1973 .5 .4571 .0029 .0008 .0180 0 .0018 0 |
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O2 .2320 .1212 .6138 .0022 .0020 .0159 -.0003 .0033 -.0019 |
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O3 .1835 .1565 .8859 .0029 .0021 .0138 -.0003 .0029 -.0001 |
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O4 .2356 .1065 .2518 .0022 .0018 .0146 .0007 .0024 .0004 |
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O5 0 .3245 .5 .0026 .0024 .0212 0 .0048 0 |
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O6 .0811 .1614 .0570 .0009 .0015 .0187 -.0001 .0017 -.0001 |
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O7 .1274 .2343 .5484 .0025 .0025 .0163 .0007 .0001 .0015 |
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O8 .0110 .2682 .1857 .0017 .0026 .0148 .0002 .0015 -.0017 |
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O9 .2119 .2534 .1830 .0015 .0015 .0199 -.0005 .0023 -.0014 |
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O10 .1174 .3723 .4079 .0016 .0016 .0200 -.0005 .0026 -.0002 |
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Wat2 .0798 0 .8531 .98 .0158 .0105 .2570 0 -.0037 0 |
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Wat3 .0798 .4190 .9655 .89 .0060 .0045 .0385 -.0007 -.0006 .0032 |
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Wat4 0 .5 .5 .0058 .0035 .0562 0 .0082 0 |
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Wat5 .0202 .0901 .525 .36 .0042 .0067 .1480 -.0022 -.0008 .0126 |
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Wat6 .0865 0 .2654 .81 .0085 .0090 .1010 0 .0159 0 |
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Clinoptilolite-(Cs) |
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Smyth J R, Spaid A T, Bish D L |
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American Mineralogist 75 (1990) 522-528 |
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Crystal structures of a natural and a Cs-exchanged clinoptilolite |
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Cs-exchanged sample |
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_database_code_amcsd 0001305 |
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17.692 17.945 7.404 90 116.4 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si1 .1781 .1699 .0937 .88 0.0005 0.0013 0.0038 .0000 .0005 .0003 |
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Al1 .1781 .1699 .0937 .12 0.0005 0.0013 0.0038 .0000 .0005 .0003 |
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Si2 .2139 .4107 .5069 .71 0.0009 0.0008 0.0058 .0000 .0009 .0001 |
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Al2 .2139 .4107 .5069 .29 0.0009 0.0008 0.0058 .0000 .0009 .0001 |
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Si3 .2096 .1903 .7167 .90 0.0009 0.0010 0.0046 .0001 .0005 .0003 |
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Al3 .2096 .1903 .7167 .10 0.0009 0.0010 0.0046 .0001 .0005 .0003 |
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Si4 .0674 .2976 .4183 .92 0.0008 0.0011 0.0046 -.0001 .0005 .0001 |
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Al4 .0674 .2976 .4183 .08 0.0008 0.0011 0.0003 -.0001 .0005 .0001 |
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Si5 0 .2179 0 .99 0.0006 0.0011 0.0049 0 .0002 0 |
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Al5 0 .2179 0 .01 0.0006 0.0011 0.0049 0 .0002 0 |
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O1 .1965 .5 .4622 0.0028 0.0009 0.0121 0 .0006 0 |
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O2 .2359 .1210 .6183 0.0032 0.0020 0.0156 -.0005 .0037 -.0016 |
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O3 .1867 .1553 .8885 0.0032 0.0022 0.0133 .0000 .0033 .0000 |
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O4 .2298 .1048 .2501 0.0027 0.0022 0.0122 .0006 .0017 .0009 |
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O5 0 .3209 .5 0.0034 0.0029 0.0203 0 .0055 0 |
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O6 .0790 .1639 .0456 0.0013 0.0017 0.0158 .0002 .0025 -.0002 |
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O7 .1272 .2304 .5487 0.0026 0.0022 0.0174 .0010 .0002 .0031 |
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O8 .0157 .2707 .1868 0.0027 0.0026 0.0088 .0004 .0009 -.0016 |
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O9 .2131 .2516 .1843 0.0021 0.0019 0.0186 -.0005 .0026 -.0015 |
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O10 .1199 .3717 .4279 0.0021 0.0020 0.0211 -.0008 .0031 -.0002 |
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Cs1 .0283 0 .1274 .179 0.0196 0.0007 0.1800 0 .0510 0 |
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Cs2 -.0116 .5 .474 .217 0.0003 0.0017 0.0330 0 .0020 0 |
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Cs3 .1913 .5 -.0327 .088 0.0071 0.0107 0.0750 0 -.0010 0 |
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Cs4 .0593 0 .2521 .184 0.0068 0.0072 0.0580 0 .0090 0 |
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Cs5 .2829 0 .9799 .327 0.0164 0.0013 0.0380 0 .0210 0 |
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Wat1 .3809 .5 .3011 0.0185 0.0035 0.1750 0 -.0250 0 |
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Wat2 .4229 .0771 .0379 0.0125 0.0070 0.0563 -.0016 -.0070 .0016 |
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Wat3 .5412 0 .2141 .64 .89 |
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| Download AMC data (View Text File)
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