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Clinoptilolite-K |
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Armbruster T |
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American Mineralogist 78 (1993) 260-264 |
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Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray |
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study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K |
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Sample Dehyd 2 |
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Data obtained from the ICSD |
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_database_code_amcsd 0001549 |
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17.619 17.503 7.371 90 116.71 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .1799 .1650 .0955 .8 .0152 .0395 .0214 -.0023 .0085 .0017 |
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Al1 .1799 .1650 .0955 .2 .0152 .0395 .0214 -.0023 .0085 .0017 |
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Si2 .2938 .0894 .5050 .7 .0300 .0227 .0267 -.0007 .0154 -.0007 |
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Al2 .2938 .0894 .5050 .3 .0300 .0227 .0267 -.0007 .0154 -.0007 |
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Si3 .2882 .3131 .2759 .83 .0269 .0347 .0228 -.0018 .0147 -.0008 |
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Al3 .2882 .3131 .2759 .17 .0269 .0347 .0228 -.0018 .0147 -.0008 |
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Si4 .0657 .2911 .4158 .84 .0219 .0397 .0216 -.0052 .0116 -.0039 |
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Al4 .0657 .2911 .4158 .16 .0219 .0397 .0216 -.0052 .0116 -.0039 |
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Si5 0 .2086 0 .92 .0190 .0330 .0210 0 .0072 0 |
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Al5 0 .2086 0 .08 .0190 .0330 .0210 0 .0072 0 |
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O1 .3142 0 .5550 .0840 .0260 .0590 0 .0080 0 |
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O2 .2431 .1177 .6308 .0820 .0840 .0800 -.0180 .0640 -.0350 |
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O3 .1903 .1443 -.1084 .0460 .0600 .0320 -.0160 .0240 -.0090 |
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O4 .2371 .1011 .2618 0.05 .0290 .0620 .0380 .0050 .0080 .0140 |
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O5 0 .3158 .5 .1000 .0980 .1010 0 .0920 0 |
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O6 .0815 .1553 .0516 .0190 .0430 .0510 -.0020 .0190 .0030 |
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O7 .3711 .2745 .4483 .0590 .0600 .0530 .0080 -.0030 .0240 |
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O8 .0136 .2625 .1883 .0530 .0650 .0350 .0050 .0080 .0200 |
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O9 .2127 .2510 .1701 .0360 .0400 .0390 -.0110 .0230 .0050 |
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O10 .1158 .3671 .4144 .0410 .0590 .0620 -.0190 .0140 .0050 |
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Na .208 0 .788 .21 .1500 .0200 .1200 0 .1000 0 |
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Ca .456 0 .728 .11 .0500 .0500 .0700 0 .0100 0 |
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Ba .2442 .5 .0635 .08 .0970 .0230 .0870 0 .0490 0 |
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K1 .2442 .5 .0635 .43 .0970 .0230 .0870 0 .0490 0 |
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K2 .220 0 .010 .1 0.05 |
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OH11 .086 0 .886 .27 .0400 .0700 .1600 0 -.0100 0 |
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OH12 .396 .920 .075 .39 .2600 1.1000 .5600 -.3600 -.1800 .4000 |
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OH13 0 .5 .5 .4 .1600 .1000 .3400 0 .1800 0 |
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OH14 .106 0 .110 .04 |
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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 (permalink) |
| |
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Clinoptilolite-K |
| |
Armbruster T |
|
American Mineralogist 78 (1993) 260-264 |
|
Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray |
|
study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K |
|
Sample Dehyd 3 |
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Data obtained from the ICSD |
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_database_code_amcsd 0001550 |
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17.610 17.456 7.360 90 116.77 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .1800 .1644 .0954 .8 .0164 .0440 .0241 -.0021 .0092 .0023 |
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Al1 .1800 .1644 .0954 .2 .0164 .0440 .0241 -.0021 .0092 .0023 |
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Si2 .2944 .0893 .5055 .7 .0319 .0257 .0299 -.0006 .0162 -.0005 |
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Al2 .2944 .0893 .5055 .3 .0319 .0257 .0299 -.0006 .0162 -.0005 |
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Si3 .2878 .3134 .2752 .83 .0303 .0400 .0264 -.0033 .0164 -.0015 |
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Al3 .2878 .3134 .2752 .17 .0303 .0400 .0264 -.0033 .0164 -.0015 |
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Si4 .0658 .2904 .4165 .84 .0242 .0450 .0234 -.0052 .0121 -.0034 |
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Al4 .0658 .2904 .4165 .16 .0242 .0450 .0234 -.0052 .0121 -.0034 |
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Si5 0 .2082 0 .92 .0200 .0380 .0240 0 .0078 0 |
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Al5 0 .2082 0 .08 .0200 .0380 .0240 0 .0078 0 |
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O1 .3144 0 .556 .0870 .0300 .0680 0 .0060 0 |
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O2 .2441 .1175 .6321 .0850 .0920 .0880 -.0170 .0680 -.0390 |
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O3 .1907 .1431 -.1079 .0480 .0640 .0350 -.0180 .0240 .0110 |
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O4 .2373 .1005 .2631 0.05 .0330 .0690 .0400 .0050 .0080 .0160 |
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O5 0 .3146 .5 .1090 .1070 .1120 0 .1000 0 |
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O6 .0814 .1549 .0507 .0230 .0470 .0570 -.0030 .0220 .0010 |
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O7 .3709 .2752 .4481 .0620 .0660 .0540 .0090 -.0050 .0240 |
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O8 .0140 .2621 .1877 .0570 .0700 .0370 .0050 .0050 -.0230 |
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O9 .2129 .2505 .1693 .0390 .0420 .0440 -.0120 .0270 -.0050 |
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O10 .116 .3665 .4165 .0470 .0640 .0690 -.0200 .0160 .0040 |
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Na .214 0 .800 .19 .1100 .0300 .1000 0 .0600 0 |
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Ca .454 0 .718 .08 .0600 .0500 .0700 0 .0100 0 |
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Ba .244 .5 .064 .08 .0860 .0250 .0950 0 .0450 0 |
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K1 .244 .5 .064 .46 .0860 .0250 .0950 0 .0450 0 |
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K2 .220 0 .010 .08 0.05 |
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OH11 .084 0 .897 .21 .0300 .1000 .1400 0 .0000 0 |
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OH12 .392 .922 .070 .37 .1600 1.3000 .7000 -.3500 -.1900 .7000 |
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OH13 0 .5 .5 .4 .1800 .1500 .3400 0 .1900 0 |
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OH14 .116 0 .130 .06 |
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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 (permalink) |
| |
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