Gunter M E, Armbruster T, Kohler T, Knowles C R
American Mineralogist 79 (1994) 675-682
Crystal structure and optical properties of Na- and Pb-exchanged
heulandite-group zeolites
Sample: Na-exchanged
Atomic parameters from ICSD
17.767 17.977 7.422 90 116.14 90 C2/m
atom x y z occ Biso
Na1 .1726 0 .689 .80 10.3
Na2 .5392 0 .243 .84 7.3
Na3 .2839 0 .029 .16 16.1
Si1 .1788 .1698 .0958 .753 1.49
Al1 .1788 .1698 .0958 .247 1.49
Si2 .2864 .0892 .4949 .753 1.53
Al2 .2864 .0892 .4949 .247 1.53
Si3 .2905 .3098 .2826 .753 1.52
Al3 .2905 .3098 .2826 .247 1.52
Si4 .0673 .2978 .4171 .753 1.52
Al4 .0673 .2978 .4171 .247 1.52
Si5 0 .2165 0 .753 1.6
Al5 0 .2165 0 .247 1.6
O1 .3026 0 .537 2.4
O2 .2341 .1197 .6182 3.23
O3 .1879 .1556 .891 4.
O4 .2311 .1033 .2498 2.79
O5 0 .3218 .5 3.8
O6 .0807 .1609 .0493 2.83
O7 .3737 .2686 .4492 3.37
O8 .0145 .2709 .1862 3.4
O9 .2123 .2521 .1875 2.93
O10 .1199 .3719 .4212 2.99
OH11 .2839 0 .029 .68 16.1
OH12 .5 0 .5 13.6
OH13 .422 .0814 .035 13.1
OH14 .074 0 .04 .56 26.9
OH15 .082 0 .271 25.4
OH16 .072 -.029 .758 .37 11.84
O17 0 .1 .5 22.2
Yang P, Armbruster T
Journal of Solid State Chemistry 123 (1996) 140-149
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure
refinements at 100 K
Sample: T = 100 K
Locality: Nasik, India
17.6770 17.931 7.426 90 116.47 90 C2/m
Na1 .025 -.091 .481 .13 8.0
Na3 .179 0 .676 .58 2.6
Na4 .0358 .485 .250 .29 3.3
Ca1 .156 0 .680 .22 3.6
Ca2 .5420 0 .194 .16 1.4
Al1 .17931 .17025 .09656 .23 .948
Si1 .17931 .17025 .09656 .77 .948
Al2 .28931 .08985 .5006 .42 1.12
Si2 .28931 .08985 .5006 .58 1.12
Al3 .29150 .31041 .28324 .2 .940
Si3 .29150 .31041 .28324 .8 .940
Al4 .06468 .29752 .41023 .15 1.051
Si4 .06468 .29752 .41023 .85 1.051
Al5 0 .21311 0 .15 1.01
Si5 0 .21311 0 .85 1.01
O1 .3058 0 .5423 2.21
O2 .2323 .1181 .6157 1.98
O3 .1811 .1545 .8823 2.27
O4 .2387 .1072 .2539 1.98
O5 0 .3242 .5 2.39
O6 .0818 .1587 .0646 1.63
O7 .3717 .2666 .4541 2.82
O8 .0079 .2666 .1831 2.27
O9 .2099 .2551 .1765 1.68
O10 .1148 .3719 .3973 2.03
Wat1 .2203 .5 -.0155 .96 3.53
Wat2 .4264 .0745 .0244 .66 4.1
Wat3 .083 0 .873 .34 12.07
Wat4 0 .5 .5 8.0
Wat5 .0606 -.0376 .708 .33 3.6
Wat6 .0938 0 .285 .58 3.4
Wat7 .418 .459 .643 .14 4.9
Wat8 -.092 .601 .090 .24 4.7
Wat9 .067 0 .15.16 7.90
Wat10 .219 0 .90.07 7.90
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