American Mineralogist Crystal Structure Database

2 matching records for this search.

Clinoptilolite-K
 
Armbruster T
Download am/vol78/AM78_260.pdf
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 2
Data obtained from the ICSD
_database_code_amcsd 0001549
17.619 17.503 7.371 90 116.71 90 C2/m
atom     x     y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .1799 .1650  .0955  .8       .0152  .0395  .0214 -.0023  .0085  .0017
Al1  .1799 .1650  .0955  .2       .0152  .0395  .0214 -.0023  .0085  .0017
Si2  .2938 .0894  .5050  .7       .0300  .0227  .0267 -.0007  .0154 -.0007
Al2  .2938 .0894  .5050  .3       .0300  .0227  .0267 -.0007  .0154 -.0007
Si3  .2882 .3131  .2759 .83       .0269  .0347  .0228 -.0018  .0147 -.0008
Al3  .2882 .3131  .2759 .17       .0269  .0347  .0228 -.0018  .0147 -.0008
Si4  .0657 .2911  .4158 .84       .0219  .0397  .0216 -.0052  .0116 -.0039
Al4  .0657 .2911  .4158 .16       .0219  .0397  .0216 -.0052  .0116 -.0039
Si5      0 .2086      0 .92       .0190  .0330  .0210      0  .0072      0
Al5      0 .2086      0 .08       .0190  .0330  .0210      0  .0072      0
O1   .3142     0  .5550           .0840  .0260  .0590      0  .0080      0
O2   .2431 .1177  .6308           .0820  .0840  .0800 -.0180  .0640 -.0350
O3   .1903 .1443 -.1084           .0460  .0600  .0320 -.0160  .0240 -.0090
O4   .2371 .1011  .2618     0.05  .0290  .0620  .0380  .0050  .0080  .0140
O5       0 .3158     .5           .1000  .0980  .1010      0  .0920      0
O6   .0815 .1553  .0516           .0190  .0430  .0510 -.0020  .0190  .0030
O7   .3711 .2745  .4483           .0590  .0600  .0530  .0080 -.0030  .0240
O8   .0136 .2625  .1883           .0530  .0650  .0350  .0050  .0080  .0200
O9   .2127 .2510  .1701           .0360  .0400  .0390 -.0110  .0230  .0050
O10  .1158 .3671  .4144           .0410  .0590  .0620 -.0190  .0140  .0050
Na    .208     0   .788 .21       .1500  .0200  .1200      0  .1000      0
Ca    .456     0   .728 .11       .0500  .0500  .0700      0  .0100      0
Ba   .2442    .5  .0635 .08       .0970  .0230  .0870      0  .0490      0
K1   .2442    .5  .0635 .43       .0970  .0230  .0870      0  .0490      0
K2    .220     0   .010  .1 0.05
OH11  .086     0   .886 .27       .0400  .0700  .1600      0 -.0100      0
OH12  .396  .920   .075 .39       .2600 1.1000  .5600 -.3600 -.1800  .4000
OH13     0    .5     .5  .4       .1600  .1000  .3400      0  .1800      0
OH14  .106     0   .110 .04
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Clinoptilolite-K
 
Armbruster T
Download am/vol78/AM78_260.pdf
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
Data obtained from the ICSD
_database_code_amcsd 0001550
17.610 17.456 7.360 90 116.77 90 C2/m
atom     x     y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .1800 .1644  .0954  .8       .0164  .0440  .0241 -.0021  .0092  .0023
Al1  .1800 .1644  .0954  .2       .0164  .0440  .0241 -.0021  .0092  .0023
Si2  .2944 .0893  .5055  .7       .0319  .0257  .0299 -.0006  .0162 -.0005
Al2  .2944 .0893  .5055  .3       .0319  .0257  .0299 -.0006  .0162 -.0005
Si3  .2878 .3134  .2752 .83       .0303  .0400  .0264 -.0033  .0164 -.0015
Al3  .2878 .3134  .2752 .17       .0303  .0400  .0264 -.0033  .0164 -.0015
Si4  .0658 .2904  .4165 .84       .0242  .0450  .0234 -.0052  .0121 -.0034
Al4  .0658 .2904  .4165 .16       .0242  .0450  .0234 -.0052  .0121 -.0034
Si5      0 .2082      0 .92       .0200  .0380  .0240      0  .0078      0
Al5      0 .2082      0 .08       .0200  .0380  .0240      0  .0078      0
O1   .3144     0   .556           .0870  .0300  .0680      0  .0060      0
O2   .2441 .1175  .6321           .0850  .0920  .0880 -.0170  .0680 -.0390
O3   .1907 .1431 -.1079           .0480  .0640  .0350 -.0180  .0240  .0110
O4   .2373 .1005  .2631     0.05  .0330  .0690  .0400  .0050  .0080  .0160
O5       0 .3146     .5           .1090  .1070  .1120      0  .1000      0
O6   .0814 .1549  .0507           .0230  .0470  .0570 -.0030  .0220  .0010
O7   .3709 .2752  .4481           .0620  .0660  .0540  .0090 -.0050  .0240
O8   .0140 .2621  .1877           .0570  .0700  .0370  .0050  .0050 -.0230
O9   .2129 .2505  .1693           .0390  .0420  .0440 -.0120  .0270 -.0050
O10   .116 .3665  .4165           .0470  .0640  .0690 -.0200  .0160  .0040
Na    .214     0   .800 .19       .1100  .0300  .1000      0  .0600      0
Ca    .454     0   .718 .08       .0600  .0500  .0700      0  .0100      0
Ba    .244    .5   .064 .08       .0860  .0250  .0950      0  .0450      0
K1    .244    .5   .064 .46       .0860  .0250  .0950      0  .0450      0
K2    .220     0   .010 .08 0.05
OH11  .084     0   .897 .21       .0300  .1000  .1400      0  .0000      0
OH12  .392  .922   .070 .37       .1600 1.3000  .7000 -.3500 -.1900  .7000
OH13     0    .5     .5  .4       .1800  .1500  .3400      0  .1900      0
OH14  .116     0   .130 .06
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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