Clinoptilolite-Ca
Koyama K, Takeuchi Y
Zeitschrift fur Kristallographie 145 (1977) 216-239
Clinoptilolite: The distribution of potassium atoms
and its role in thermal stability
Locality: Agoura, California, USA
Note: z(O3) corrected
_database_code_amcsd 0010793
17.6620 17.911 7.407 90 116.40 90 C2/m
atom      x      y     z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Na1   .1428      0  .667 .36       .0083  .0015  .0358       0  .0079       0
Ca1   .1428      0  .667 .06       .0083  .0015  .0358       0  .0079       0
Na2   .0393     .5  .210 .10       .0020  .0019  .0235       0  .0015       0
Ca2   .0393     .5  .210 .25       .0020  .0019  .0235       0  .0015       0
K3    .2413     .5  .049 .44       .0085  .0019  .0395       0  .0138       0
Mg4       0      0    .5 .10  1.1
Si1  .17906 .16943 .0963 .83      .00106 .00103  .0060  .00001 .00160  .00032
Al1  .17906 .16943 .0963 .17      .00106 .00103  .0060  .00001 .00160  .00032
Si2  .21334 .41099 .5040 .69      .00126 .00073  .0070  .00003 .00162  .00008
Al2  .21334 .41099 .5040 .31      .00126 .00073  .0070  .00003 .00162  .00008
Si3  .20846 .19034 .7153 .87      .00122 .00087  .0055  .00007 .00176  .00005
Al3  .20846 .19034 .7153 .13      .00122 .00087  .0055  .00007 .00176  .00005
Si4  .06623 .29837 .4148 .89      .00108 .00100  .0061 -.00015 .00152 -.00002
Al4  .06623 .29837 .4148 .11      .00108 .00100  .0061 -.00015 .00152 -.00002
Si5       0 .21651     0 .90      .00113 .00101  .0058       0  .0014       0
Al5       0 .21651     0 .10      .00113 .00101  .0058       0  .0014       0
O1    .1959     .5 .4574           .0032  .0011  .0146       0  .0031       0
O2    .2336  .1204 .6144           .0032  .0018  .0165      .0  .0054  -.0012
O3    .1850  .1551 .8859           .0041  .0019  .0133  -.0002  .0055   .0002
O4    .2333  .1041 .2509           .0027  .0020  .0092   .0008  .0018   .0005
O5        0  .3232    .5           .0030  .0024  .0169       0  .0056       0
O6    .0808  .1627 .0555           .0014  .0015  .0152      .0  .0024   .0001
O7    .1268  .2317 .5492           .0030  .0021  .0159   .0010  .0017   .0024
O8    .0122  .2702 .1856           .0022  .0023  .0103   .0001  .0011  -.0021
O9    .2123  .2520 .1860           .0017  .0016  .0178  -.0006  .0025  -.0018
O10   .1188  .3718 .4148           .0022  .0016  .0176  -.0006  .0030  -.0001
Wat1   .211     .5 -.033 .38  6.2
Wat2   .084      0  .888 .44 14.6
Wat3  .0777  .4206  .964      9.5
Wat4      0     .5    .5      7.4
Wat5      0   .095    .5 .76 22.1
Wat6   .073      0  .249 .83 19.1
Wat7   .096      0  .756 .42 10.2