|
Heulandite-Ca |
|
Merkle A B, Slaughter M |
|
American Mineralogist 52 (1967) 273-276 |
|
The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O |
|
_database_code_amcsd 0000154 |
|
17.73 17.82 7.43 90 116.33 90 Cm |
|
atom x y z occ |
|
Ca1 .147 0 .811 |
|
Ca2 .435 0 .147 |
|
Ca3 .242 .5 .300 |
|
Si1 .109 .168 .405 .733 |
|
Al1 .109 .168 .405 .267 |
|
Si2 .002 .093 0 .733 |
|
Al2 .002 .093 0 .267 |
|
Si3 .080 .184 .782 .733 |
|
Al3 .080 .184 .782 .267 |
|
Si4 .342 .304 .909 .733 |
|
Al4 .342 .304 .909 .267 |
|
Si5 .287 .216 .5 .733 |
|
Al5 .287 .216 .5 .267 |
|
Si6 .495 .198 .216 .733 |
|
Al6 .495 .198 .216 .267 |
|
Si7 .468 .173 .593 .733 |
|
Al7 .468 .173 .593 .267 |
|
Si8 .216 .302 .086 .733 |
|
Al8 .216 .302 .086 .267 |
|
Si9 .072 .415 0 .733 |
|
Al9 .072 .415 0 .267 |
|
O1 .983 0 .947 |
|
O2 .061 .130 .900 |
|
O3 .102 .143 .605 |
|
O4 .044 .122 .235 |
|
O5 .292 .338 .018 |
|
O6 .211 .167 .428 |
|
O7 .142 .256 .943 |
|
O8 .295 .259 .679 |
|
O9 .084 .247 .314 |
|
O10 .279 .283 .313 |
|
O11 .370 .151 .559 |
|
O12 .023 .404 .753 |
|
O13 .081 .5 .044 |
|
O14 .463 .162 .362 |
|
O15 .492 .263 .663 |
|
O16 .404 .376 .906 |
|
O17 .020 .380 .117 |
|
O18 .170 .383 .109 |
|
O19 .407 .233 .055 |
|
Wat1 .006 0 .528 .667 |
|
Wat2 .294 .5 .038 .667 |
|
Wat3 .296 .5 .767 .667 |
|
Wat4 .065 .5 .518 .667 |
|
Wat5 .386 0 .772 .667 |
|
Wat6 .209 0 .601 .667 |
|
Wat7 .256 .137 .005 .667 |
|
Wat8 .211 .423 .509 .667 |
|
Wat9 .360 .424 .469 .667 |
|
Wat10 .389 0 .404 .667 |
|
Wat11 .379 0 .291 .667 |
|
Wat12 .208 0 .450 .667 |
|
Wat13 .375 0 .520 .667 |
|
Wat14 .222 .172 .109 .667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Merkle A B, Slaughter M |
|
American Mineralogist 53 (1968) 1120-1138 |
|
Determination and refinement of the structure of heulandite |
|
_database_code_amcsd 0000180 |
|
17.73 17.82 7.43 90 116.33 90 Cm |
|
atom x y z occ Biso |
|
Ca1 .1417 0 .8478 .34 2.95 |
|
Ca2 .4355 0 .1776 .38 3.91 |
|
Ca3 .2403 .5 .2989 .48 2.35 |
|
Si1 .1075 .1693 .4049 .75 1.32 |
|
Al1 .1075 .1693 .4049 .25 1.32 |
|
Al2 .9968 .9096 .0056 .75 1.83 |
|
Si2 .9968 .9096 .0056 .25 1.83 |
|
Si3 .0773 .1917 .7880 1.24 |
|
Si4 .3488 .3020 .9107 .60 1.23 |
|
Al4 .3488 .3020 .9107 .40 1.23 |
|
Si5 .2852 .2152 .5075 1.14 |
|
Si6 .4907 .1907 .2188 .89 |
|
Si7 .4652 .1708 .5978 .75 .68 |
|
Al7 .4652 .1708 .5978 .25 .68 |
|
Si8 .2204 .2990 .0899 1.35 |
|
Al9 .0714 .4104 .0043 .75 .76 |
|
Si9 .0714 .4104 .0043 .25 .76 |
|
O1 .9820 0 .9746 3.01 |
|
O2 .0626 .1202 .8931 1.80 |
|
O3 .0966 .1499 .6104 3.33 |
|
O4 .0456 .1087 .2566 1.97 |
|
O5 .2851 .3318 .0077 2.21 |
|
O6 .2069 .1621 .4386 1.83 |
|
O7 .1552 .2425 .9541 4.07 |
|
O8 .2951 .2685 .6890 2.34 |
|
O9 .0717 .2552 .3240 1.66 |
|
O10 .2775 .2646 .3196 2.60 |
|
O11 .3666 .1613 .5673 1.62 |
|
O12 .0175 .3984 .7552 2.45 |
|
O13 .0933 .5 .0873 3.03 |
|
O14 .4608 .1575 .3774 .36 |
|
O15 .4978 .2551 .6450 3.51 |
|
O16 .4085 .3758 .9159 4.30 |
|
O17 .0198 .3812 .1167 3.42 |
|
O18 .1699 .3746 .1234 1.31 |
|
O19 .4100 .2328 .0553 1.82 |
|
Wat1 .9957 0 .4686 .88 |
|
Wat2 .0388 .5 .4648 1.13 |
|
Wat3 .2005 .4079 .5270 4.89 |
|
Wat4 .2765 .5 .9634 5.98 |
|
Wat5 .3545 .4267 .4683 5.25 |
|
Wat6 .3665 0 .7543 3.17 |
|
Wat7 .1548 0 .1553 .30 4.20 |
|
Wat8 .1985 0 .5998 .32 4.00 |
|
Wat9 .2882 .1001 .0552 .30 4.10 |
|
Wat10 .3628 0 .4000 .18 4.10 |
|
Wat11 .2898 0 .3030 .15 4.10 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Mortier W J, Pearce J R |
|
American Mineralogist 66 (1981) 309-314 |
|
Thermal stability of the heulandite-type framework: Crystal structure of the |
|
calcium/ammonium form dehydrated at 483K |
|
_database_code_amcsd 0000810 |
|
17.158 17.433 7.388 90 113.41 90 C2/m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .2591 .5 .0820 .603 0.0137 0.0044 0.0664 0 0.0082 0 |
|
Ca2 .0326 0 .2901 .190 0.0052 0.0037 0.0504 0 0.0092 0 |
|
Si1 .3200 .1632 .2343 .769 0.0014 0.0029 0.0086 0.0002 0.0011 0.0006 |
|
Al1 .3200 .1632 .2343 .231 0.0014 0.0029 0.0086 0.0002 0.0011 0.0006 |
|
Si2 .0668 .2137 .2154 .769 0.0019 0.0026 0.0090 0.0005 0.0015 0.0002 |
|
Al2 .0668 .2137 .2154 .231 0.0019 0.0026 0.0090 0.0005 0.0015 0.0002 |
|
Si3 .2162 .3145 .2018 .769 0.0026 0.0026 0.0092 0.0000 0.0022 0.0001 |
|
Al3 .2162 .3145 .2018 .231 0.0026 0.0026 0.0092 0.0000 0.0022 0.0001 |
|
Si4 .2020 .0895 .4121 .769 0.0028 0.0016 0.0119 0.0001 0.0024 0.0001 |
|
Al4 .2020 .0895 .4121 .231 0.0028 0.0016 0.0119 0.0001 0.0024 0.0001 |
|
Si5 0 .2956 .5 .769 0.0016 0.0024 0.0102 0 0.0019 0 |
|
Al5 0 .2956 .5 .231 0.0016 0.0024 0.0102 0 0.0019 0 |
|
O1 .4190 .1504 .3841 0.0019 0.0030 0.0189 0.0001 -.0003 0.0006 |
|
O2 .2906 .2513 .2421 0.0032 0.0031 0.0149 0.0010 0.0017 0.0006 |
|
O3 .3068 .1409 .0091 0.0043 0.0049 0.0128 0.0011 0.0033 0.0006 |
|
O4 .0170 .2408 .3462 0.0052 0.0046 0.0347 -.0008 0.0089 -.0054 |
|
O5 .2627 .1018 .2909 0.0032 0.0047 0.0271 -.0007 0.0049 0.0022 |
|
O6 .1117 .1337 .3046 0.0043 0.0041 0.0401 0.0015 0.0057 0.0033 |
|
O7 .2520 .3862 .3558 0.0068 0.0065 0.0160 0.0005 0.0014 -.0034 |
|
O8 .1345 .2768 .2172 0.0054 0.0045 0.0522 -.0002 0.0117 0.0030 |
|
O9 .1765 0 .4097 0.0071 0.0020 0.0580 0 0.0144 0 |
|
O10 0 .1948 0 0.0109 0.0070 0.0087 0 -.0039 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
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: nonexchanged |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001668 |
|
17.671 17.875 7.412 90 116.39 90 C2/m |
|
atom x y z occ Biso |
|
Na1 .1549 0 .6666 .228 6.3 |
|
Ca1 .1549 0 .6666 .44 6.3 |
|
Ca2 .5402 0 .2031 .484 2.74 |
|
K .2763 0 .01 .03 9.9 |
|
Na2 .2763 0 .01 .097 9.9 |
|
Si1 .1794 .1698 .0967 .753 1.34 |
|
Al1 .1794 .1698 .0967 .247 1.34 |
|
Si2 .2886 .0899 .5008 .753 1.42 |
|
Al2 .2886 .0899 .5008 .247 1.42 |
|
Si3 .2917 .3096 .2831 .753 1.35 |
|
Al3 .2917 .3096 .2831 .247 1.35 |
|
Si4 .0646 .2984 .411 .753 1.34 |
|
Al4 .0646 .2984 .411 .247 1.34 |
|
Si5 0 .2131 0 .753 1.4 |
|
Al5 0 .2131 0 .247 1.4 |
|
O1 .3048 0 .5466 2.8 |
|
O2 .2313 .1194 .6132 3.05 |
|
O3 .1833 .1543 .8842 3.22 |
|
O4 .2385 .1065 .2555 2.45 |
|
O5 0 .3259 .5 3.4 |
|
O6 .082 .1587 .0626 2.22 |
|
O7 .3729 .266 .4508 3.26 |
|
O8 .0089 .2662 .1842 2.78 |
|
O9 .2103 .2542 .1783 2.64 |
|
O10 .1155 .3723 .3988 2.64 |
|
OH11 .2763 0 .01 .83 9.9 |
|
OH12 .5 0 .5 7.9 |
|
OH13 .4228 .0817 .0307 5.4 |
|
OH14 .094 0 .285 13.2 |
|
OH15 .082 .005 .867 .43 11.84 |
|
OH16 0 .0873 .5 20.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Na |
|
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 |
|
_database_code_amcsd 0001669 |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
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: Pb-exchanged |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001670 |
|
17.767 17.917 7.432 90 116.33 90 Cm |
|
atom x y z occ Biso |
|
Si1 .1796 .1695 .091 .753 1.04 |
|
Al1 .1796 .1695 .091 .247 1.04 |
|
Si2 .8222 .8315 -.094 .753 1.01 |
|
Al2 .8222 .8315 -.094 .247 1.01 |
|
Si3 .2874 .0894 .493 .753 .98 |
|
Al3 .2874 .0894 .493 .247 .98 |
|
Si4 .7161 -.0903 .503 .753 1.38 |
|
Al4 .7161 -.0903 .503 .247 1.38 |
|
Si5 .2961 .3081 .288 .753 1.03 |
|
Al5 .2961 .3081 .288 .247 1.03 |
|
Si6 .7105 .6919 .718 .753 1.04 |
|
Al6 .7105 .6919 .718 .247 1.04 |
|
Si7 .0670 .2991 .417 .753 .94 |
|
Al7 .0670 .2991 .417 .247 .94 |
|
Si8 -.0634 .6980 .589 .753 1.1 |
|
Al8 -.0634 .6980 .589 .247 1.1 |
|
Si9 0 .2160 0 .753 1.3 |
|
Al9 0 .2160 0 .247 1.3 |
|
O1 .299 0 .555 2.4 |
|
O2 .199 .5 .458 2.2 |
|
O3 .2351 .1248 .613 2.5 |
|
O4 .7762 .877 .403 2.6 |
|
O5 .188 .1508 .885 3.2 |
|
O6 .8193 .8482 .117 1.8 |
|
O7 .231 .1017 .245 3.2 |
|
O8 .7611 .8948 .752 1.2 |
|
O9 0 .328 .5 2.3 |
|
O10 .082 .1623 .047 2.9 |
|
O11 -.0824 .8414 -.067 1.2 |
|
O12 .3807 .2654 .453 2.5 |
|
O13 .631 .7368 .558 2.7 |
|
O14 .0099 .2643 .194 2.7 |
|
O15 -.0123 .7257 .817 2.5 |
|
O16 .2118 .2526 .178 2.3 |
|
O17 .7891 .7478 .829 2.2 |
|
O18 .1187 .3726 .401 1.5 |
|
O19 .882 .625 .58 3.3 |
|
Pb1 .1505 0 .679 .32 5.4 |
|
Pb2 .852 0 .327 .4 4.4 |
|
Pb3 .0381 .5 .1979 .6 2.97 |
|
Pb4 .217 0 .877 .14 6.4 |
|
Pb5 .794 0 .14 .12 4.9 |
|
Pb6 -.011 .0768 .667 .14 12.7 |
|
Pb7 .009 .9 .484 .07 12.7 |
|
O20 .4218 .0873 .034 2.9 |
|
O21 .017 .074 .322 .76 2. |
|
O22 .499 0 .502 8.4 |
|
O23 -.076 0 .121 .88 7.61 |
|
O24 .077 0 .268 1.14 9.29 |
|
O25 .274 0 -.004 .6 2.2 |
|
O26 .724 0 -.018 .86 8.7 |
|
O27 .29 0 .25 .22 6.32 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: REE293 |
|
Tetrahedral sites were refined as Si |
|
_database_code_amcsd 0002251 |
|
17.649 17.980 7.412 90 116.22 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .17734 .32961 .0917 .0159 .0283 .0181 -.0002 .0086 -.0010 |
|
Si2 .28418 .41088 .4894 .0268 .0215 .0260 -.0006 .0141 -.0007 |
|
Si3 .29145 .19068 .2853 .0227 .0243 .0171 -.0017 .0107 -.0001 |
|
Si4 .43161 .29831 .5786 .0175 .0300 .0178 .0002 .0076 -.0002 |
|
Si5 0 .2771 0 .0159 .0344 .0179 0 .0067 0 |
|
Al1 0 .4221 0 .120 1.7 |
|
Al2 .488 0 .556 .13 3.6 |
|
Al3 .205 .5 .199 .08 3.0 |
|
NaB .468 .5 .771 .39 11.0 |
|
O1 .2985 .5 .5263 .049 .022 .047 0 .021 0 |
|
O2 .2644 .1219 .3841 .059 .039 .050 .000 .040 .009 |
|
O3 .3131 .1556 .1120 .062 .049 .033 .000 .034 -.002 |
|
O4 .2253 .3965 .2459 .047 .041 .028 -.009 .010 -.009 |
|
O5 .5 .3208 .5 .052 .059 .062 0 .046 0 |
|
O6 .0785 .3327 .0409 .018 .041 .056 .000 .016 .007 |
|
O7 .3755 .2295 .4533 .048 .050 .047 -.018 .003 -.017 |
|
O8 .0179 .2246 .1894 .048 .058 .026 -.006 .008 .011 |
|
O9 .2150 .2501 .1882 .035 .037 .050 .013 .022 .012 |
|
O10 .3765 .3711 .5591 .032 .040 .067 .011 .021 .002 |
|
WatA1 .369 0 .348 .51 8.4 |
|
WatA2 .390 0 .51 .28 15.79 |
|
WatA3 .402 0 .235 .39 15.79 |
|
WatA4 .398 0 .061 .17 6.5 |
|
WatA5 .433 0 .788 .47 15.0 |
|
WatA6 .560 0 .036 .47 13.9 |
|
WatA8 .496 .091 .583 .37 11.9 |
|
WatA9 .478 .072 .707 .27 11.3 |
|
WatB1 .3930 .411 .097 .39 13.8 |
|
WatBb .436 .430 .001 .47 15.79 |
|
WatB2 .512 .5 .564 .55 11.1 |
|
WatB3 .406 .5 .059 .14 3.7 |
|
WatC2 .212 0 -.014 .64 9.5 |
|
WatC3 .2582 0 .089 .52 3.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: REE100 |
|
Tetrahedral sites were refined as Si |
|
_database_code_amcsd 0002252 |
|
17.611 17.933 7.398 90 116.29 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .17760 .33000 .0926 .0135 .0277 .0160 .0006 .0080 -.0008 |
|
Si2 .28447 .41110 .4904 .0245 .0211 .0244 -.0011 .0134 -.0010 |
|
Si3 .29189 .19069 .2854 .0196 .0229 .0147 -.0011 .0095 .0003 |
|
Si4 .43213 .29855 .5794 .0158 .0294 .0167 .0005 .0075 .0003 |
|
Si5 0 .27754 0 .0144 .0349 .0166 0 .0060 0 |
|
Al1 0 .4225 0 .119 1.6 |
|
Al2 .489 0 .550 .109 2.2 |
|
Al3 .203 .5 .200 .074 2.2 |
|
Nab .466 .5 .767 .38 10.1 |
|
O1 .2988 .5 .5280 .050 .022 .044 0 .022 0 |
|
O2 .2652 .1218 .3846 .057 .039 .048 .001 .040 .010 |
|
O3 .1863 .3447 -.1126 .060 .049 .031 .005 .034 .001 |
|
O4 .2267 .3971 .2460 .048 .041 .026 -.012 .010 -.009 |
|
O5 .5 .3227 .5 .053 .064 .063 0 .049 0 |
|
O6 .0789 .3336 .0451 .016 .041 .054 .001 .016 .009 |
|
O7 .3760 .2298 .4535 .046 .053 .043 -.017 .001 -.016 |
|
O8 .4839 .2752 .8118 .049 .058 .025 -.008 .008 .012 |
|
O9 .2153 .2498 .1891 .029 .033 .045 .010 .020 .011 |
|
O10 .3767 .3710 .5630 .031 .040 .069 .010 .021 .002 |
|
WatA1 .373 0 .369 .56 8.1 |
|
WatA2 .444 0 .62 .15 15.79 |
|
WatA3 .400 0 .242 .43 15.79 |
|
WatA4 .395 0 .067 .15 4.4 |
|
WatA5 .440 0 .812 .49 12.7 |
|
WatA6 .563 0 .025 .41 12.5 |
|
WatA8 .496 .091 .591 .35 10.42 |
|
WatA9 .476 .076 .716 .16 4.7 |
|
WatB1 .395 .411 .105 .31 13.0 |
|
WatBb .433 .430 .006 .46 15.79 |
|
WatB2 .511 .5 .561 .55 10.1 |
|
WatB3 .409 .5 .076 .12 2.3 |
|
WatC2 .215 0 -.008 .65 8.0 |
|
WatC3 .258 0 .085 .39 3.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: DEHY323 |
|
Tetrahedral sites were refined as Si |
|
_database_code_amcsd 0002253 |
|
17.583 17.695 7.408 90 116.52 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .17822 .33236 .0912 .0147 .0357 .0186 .0009 .0078 -.0013 |
|
Si2 .28602 .41093 .4940 .0273 .0260 .0268 .0003 .0133 .0000 |
|
Si3 .29190 .19000 .2828 .0236 .0301 .0174 -.0006 .0109 .0009 |
|
Si4 .43360 .29733 .5820 .0184 .0351 .0188 .0020 .0081 .0006 |
|
Si5 0 .2813 0 .0162 .0420 .0178 0 .0057 0 |
|
Al1 0 .4210 0 .12 2.1 |
|
Al2 .489 0 .550 .13 3.7 |
|
Al3 .235 .5 .178 .033 2.37 |
|
NaB .462 .5 .724 .19 8.01 |
|
O1 .3019 .5 .5391 .064 .030 .051 0 .022 0 |
|
O2 .2645 .1217 .3843 .070 .057 .064 .007 .050 .021 |
|
O3 .3144 .1508 .1146 .057 .060 .035 .014 .032 .005 |
|
O4 .2304 .3977 .2497 .040 .052 .033 -.010 .010 -.008 |
|
O5 .5 .3217 .5 .074 .087 .074 0 .065 0 |
|
O6 .0799 .3374 .0499 .018 .042 .047 .001 .014 .001 |
|
O7 .3757 .2298 .4517 .054 .062 .054 -.011 .000 -.021 |
|
O8 .0141 .2284 .1878 .049 .066 .028 -.003 .008 .013 |
|
O9 .2153 .2497 .1797 .033 .041 .043 .011 .022 .008 |
|
O10 .3792 .3713 .5719 .035 .054 .066 .015 .015 -.001 |
|
WatA1 .373 0 .380 .12 4.9 |
|
WatA3 .391 0 .296 .12 4.1 |
|
WatA4 .418 0 .100 .12 12.2 |
|
WatA6 .076 .5 .047 .25 5.92 |
|
WatA8 .505 .089 .620 .10 5.5 |
|
WatA9 .473 .080 .710 .15 4.7 |
|
WatB2 .525 .5 .612 .32 15.79 |
|
WatB3 .410 .5 .079 .17 2.3 |
|
WatC2 .224 0 .034 .30 4.2 |
|
WatC3 .259 0 .083 .22 2.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
Wust T, Stolz J, Armbruster T |
|
American Mineralogist 84 (1999) 1126-1134 |
|
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical |
|
and single-crystal X-ray study |
|
Sample: DEHY378 |
|
_database_code_amcsd 0002254 |
|
17.608 17.656 7.414 90 116.42 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .17810 .33296 .0907 .0160 .0414 .0210 .0006 .0081 -.0021 |
|
Si2 .28613 .41108 .4939 .0298 .0282 .0280 .0003 .0133 .0007 |
|
Si3 .29161 .18976 .2820 .0271 .0358 .0204 .0001 .0129 .0017 |
|
Si4 .06675 .20343 .4196 .0204 .0409 .0201 .0029 .0087 .0007 |
|
Si5 0 .2810 0 .0176 .0460 .0180 0 .0055 0 |
|
Al1 0 .421 0 .10 2.6 |
|
Al2 .490 0 .555 .08 3.5 |
|
Al3 .229 .5 .180 .026 2.37 |
|
NaB .481 .5 .660 .13 14.0 |
|
O1 .3022 .5 .5402 .071 .034 .048 0 .018 0 |
|
O2 .2628 .1220 .3823 .077 .069 .071 .007 .054 .026 |
|
O3 .3126 .1494 .1124 .057 .064 .034 .011 .029 .005 |
|
O4 .2285 .3996 .2485 .038 .061 .037 -.010 .009 -.010 |
|
O5 0 .1788 .5 .076 .097 .086 0 .068 0 |
|
O6 .0795 .3370 .0462 .019 .048 .051 0 .014 0 |
|
O7 .1238 .2721 .5499 .057 .067 .058 -.010 .003 -.024 |
|
O8 .0160 .2280 .1892 .053 .069 .033 -.004 .006 .013 |
|
O9 .2164 .2510 .1809 .038 .050 .047 .014 .026 .010 |
|
O10 .1220 .1297 .4358 .039 .062 .065 .016 .013 -.005 |
|
WatA1 .371 0 .37 .10 5.8 |
|
WatA3 .392 0 .31 .03 0.1 |
|
WatA4 .410 0 .12 .10 9.8 |
|
WatA6 .073 .5 .049 .18 5.2 |
|
WatA9 .479 .081 .696 .14 6.7 |
|
WatB2 .5 .5 .5 .16 15.79 |
|
WatB3 .411 .5 .083 .09 1.8 |
|
WatC2 .232 0 .049 .18 1.2 |
|
WatC3 .266 0 .10 .26 4.7 |
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WatC33 .231 .5 -.01 .08 3.95 |
|
WatC4 .284 0 .23 .17 2.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Sr |
|
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: fully hydrated at room temperature |
|
_database_code_amcsd 0002991 |
|
17.714 18.000 7.430 90 116.627 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .15021 0 .6789 .759 2.21 .0319 .0258 .0288 0 .0157 0 |
|
Sr2 .8536 0 .3437 .457 3.15 .052 .031 .043 0 .027 0 |
|
Sr3 .4661 0 .8124 .78 1.36 .0151 .0149 .015 0 .0004 0 |
|
Sr4 .477 0 .752 .12 2.5 .031 .032 .03 0 .011 0 |
|
Si1 .8224 .8287 .9126 .75 1.08 .0120 .0172 .0115 -.0012 .0051 .0005 |
|
Al1 .8224 .8287 .9126 .25 1.08 .0120 .0172 .0115 -.0012 .0051 .0005 |
|
Si1' .1795 .16957 .0993 .75 1.09 .0133 .0182 .0093 .0000 .0045 .0012 |
|
Al1' .1795 .16957 .0993 .25 1.09 .0133 .0182 .0093 .0000 .0045 .0012 |
|
Si2 .7144 .91001 .5090 .75 1.23 .0208 .0132 .0135 .0013 .0083 .0001 |
|
Al2 .7144 .91001 .5090 .25 1.23 .0208 .0132 .0135 .0013 .0083 .0001 |
|
Si2' .2887 .09057 .5057 .75 1.07 .0131 .0141 .0120 -.0002 .0043 -.0004 |
|
Al2' .2887 .09057 .5057 .25 1.07 .0131 .0141 .0120 -.0002 .0043 -.0004 |
|
Si3 .7059 .69056 .7190 .75 1.06 .0140 .0160 .0106 .0010 .0057 .0012 |
|
Al3 .7059 .69056 .7190 .25 1.06 .0140 .0160 .0106 .0010 .0057 .0012 |
|
Si3' .2915 .30856 .2858 .75 1.04 .0151 .0133 .0109 .0003 .0056 .0002 |
|
Al3' .2915 .30856 .2858 .25 1.04 .0151 .0133 .0109 .0003 .0056 .0002 |
|
Si4 .9361 .70057 .5921 .75 1.13 .0153 .0161 .0106 -.0021 .0050 .0003 |
|
Al4 .9361 .70057 .5921 .25 1.13 .0153 .0161 .0106 -.0021 .0050 .0003 |
|
Si4' .0648 .30095 .4140 .75 1.07 .0131 .0159 .0105 .0010 .0043 .0006 |
|
Al4' .0648 .30095 .4140 .25 1.07 .0131 .0159 .0105 .0010 .0043 .0006 |
|
Si5 .0023 .78463 .0069 .75 1.15 .0129 .0178 .0111 -.0028 .0037 .0003 |
|
Al5 .0023 .78463 .0069 .25 1.15 .0129 .0178 .0111 -.0028 .0037 .0003 |
|
O1 .7053 0 .471 2.6 .052 .014 .028 0 .013 0 |
|
O1' .3060 0 .549 1.6 .026 .011 .020 0 .005 0 |
|
O2 .7686 .8766 .3928 2.8 .050 .030 .040 .002 .033 -.008 |
|
O2' .2287 .1186 .6135 1.71 .021 .026 .019 -.002 .010 -.003 |
|
O3 .8188 .8455 .1233 2.17 .040 .029 .020 -.010 .020 -.006 |
|
O3' .1787 .1510 .8813 2.03 .027 .038 .016 -.012 .014 -.005 |
|
O4 .7663 .8925 .7543 2.42 .033 .028 .021 .006 .004 .004 |
|
O4' .2422 .1094 .2589 1.52 .020 .023 .016 .001 .008 -.001 |
|
O5 .9981 .6731 .494 2.71 .038 .042 .034 -.014 .027 -.009 |
|
O6 .9199 .8372 .9494 1.91 .023 .025 .025 -.001 .012 -.004 |
|
O6' .0839 .1601 .0795 1.35 .012 .020 .018 .001 .006 .003 |
|
O7 .6240 .7344 .5484 2.5 .037 .031 .024 .014 .010 .011 |
|
O7' .3698 .2632 .4519 3.0 .031 .033 .029 .005 -.004 .007 |
|
O8 .9957 .7358 .8165 2.05 .020 .032 .022 -.011 .007 -.013 |
|
O8' .0116 .2733 .1838 2.31 .029 .032 .020 .008 .005 -.010 |
|
O9 .7885 .7455 .8306 1.78 .023 .022 .024 -.007 .012 -.008 |
|
O9' .2105 .2547 .1711 1.70 .020 .021 .023 -.004 .010 -.001 |
|
O10 .8866 .6270 .6135 1.53 .018 .023 .016 -.003 .007 .002 |
|
O10' .1185 .3743 .4106 2.6 .027 .018 .046 -.006 .009 .002 |
|
Wat1 .2789 0 .030 3.1 |
|
Wat2 .7336 0 .010 4.5 |
|
Wat3 .5081 0 .513 4.9 |
|
Wat4 .5894 .9103 .966 4.3 |
|
Wat5 .0799 0 .910 .84 4.8 |
|
Wat6 .0985 0 .286 .87 5.8 |
|
Wat7 .4229 .0797 .039 .97 3.5 |
|
Wat8 .0218 .0887 .490 .76 4.9 |
|
Wat9 .983 .090 .531 .35 3.9 |
|
Wat10 .909 0 .757 .69 8.0 |
|
Wat11 .921 0 .108 .71 8.2 |
|
Wat12 .537 0 .199 .43 3.95 |
|
Wat13 .239 0 .903 .18 2.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Sr |
|
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 100 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002992 |
|
17.698 17.970 7.426 90 116.653 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1498 0 .6800 .752 2.35 .0365 .0255 .0309 0 .0183 0 |
|
Sr2 .8538 0 .3426 .442 3.20 .051 .032 .046 0 .028 0 |
|
Sr3 .4665 0 .813 .73 1.48 .016 .0157 .017 0 .0003 0 |
|
Sr4 .479 0 .753 .17 2.3 .032 .031 .024 0 .011 0 |
|
Si1 .8223 .8289 .9128 .75 1.10 .0116 .0181 .0116 -.0013 .0049 .0008 |
|
Al1 .8223 .8289 .9128 .25 1.10 .0116 .0181 .0116 -.0013 .0049 .0008 |
|
Si1' .1796 .1692 .0991 .75 1.12 .0147 .0187 .0094 .0004 .0055 .0010 |
|
Al1' .1796 .1692 .0991 .25 1.12 .0147 .0187 .0094 .0004 .0055 .0010 |
|
Si2 .7137 .9099 .5081 .75 1.30 .022 .0139 .0144 .0001 .0084 -.0003 |
|
Al2 .7137 .9099 .5081 .25 1.30 .022 .0139 .0144 .0001 .0084 -.0003 |
|
Si2' .2892 .0904 .5062 .75 1.06 .0137 .0149 .0118 -.0001 .0057 -.0006 |
|
Al2' .2892 .0904 .5062 .25 1.06 .0137 .0149 .0118 -.0001 .0057 -.0006 |
|
Si3 .7064 .69029 .7193 .75 1.06 .0142 .0165 .0110 .0011 .0070 .0006 |
|
Al3 .7064 .69029 .7193 .25 1.06 .0142 .0165 .0110 .0011 .0070 .0006 |
|
Si3' .2911 .30864 .2850 .75 1.08 .0159 .0136 .0110 .0006 .0057 .0012 |
|
Al3' .2911 .30864 .2850 .25 1.08 .0159 .0136 .0110 .0006 .0057 .0012 |
|
Si4 .9360 .7012 .5922 .75 1.12 .0151 .0162 .0108 -.0022 .0053 .0008 |
|
Al4 .9360 .7012 .5922 .25 1.12 .0151 .0162 .0108 -.0022 .0053 .0008 |
|
Si4' .0648 .3005 .4136 .75 1.13 .0139 .0178 .0101 .0013 .0045 -.0001 |
|
Al4' .0648 .3005 .4136 .25 1.13 .0139 .0178 .0101 .0013 .0045 -.0001 |
|
Si5 .0022 .78541 .0066 .75 1.18 .0131 .0188 .0113 -.0038 .0040 .0004 |
|
Al5 .0022 .78541 .0066 .25 1.18 .0131 .0188 .0113 -.0038 .0040 .0004 |
|
O1 .7038 0 .470 2.7 .056 .011 .028 0 .014 0 |
|
O1' .3067 0 .548 1.9 .027 .017 .019 0 .004 0 |
|
O2 .7671 .8766 .391 3.0 .055 .030 .046 .000 .038 -.009 |
|
O2' .2289 .1184 .6135 1.71 .019 .027 .020 -.001 .010 -.004 |
|
O3 .8183 .8460 .1226 2.3 .044 .030 .018 -.013 .018 -.005 |
|
O3' .1788 .1505 .8812 2.01 .024 .041 .019 -.011 .016 -.006 |
|
O4 .7656 .8924 .7537 2.6 .038 .029 .022 .007 .004 .006 |
|
O4' .2426 .1096 .2592 1.52 .017 .028 .013 .002 .007 -.002 |
|
O5 .9982 .6739 .494 2.94 .041 .046 .038 -.017 .029 -.010 |
|
O6 .9194 .8378 .9491 1.99 .021 .028 .025 .000 .009 -.003 |
|
O6' .0837 .1592 .0783 1.37 .012 .021 .022 .000 .009 .003 |
|
O7 .6244 .7341 .5482 2.8 .041 .032 .028 .019 .011 .014 |
|
O7' .3693 .2635 .4517 3.1 .032 .034 .034 .003 -.003 .009 |
|
O8 .9954 .7368 .8154 2.14 .020 .033 .024 -.010 .007 -.012 |
|
O8' .0115 .2727 .1835 2.38 .031 .032 .021 .009 .006 -.010 |
|
O9 .7891 .7452 .8328 1.83 .024 .023 .023 -.005 .011 -.007 |
|
O9' .2099 .2547 .1700 1.69 .020 .021 .023 -.004 .009 .000 |
|
O10 .8873 .6275 .6151 1.58 .018 .026 .015 .000 .007 .002 |
|
O10' .1179 .3741 .4102 2.8 .030 .021 .045 -.008 .009 .006 |
|
Wat1 .2789 0 .027 3.0 |
|
Wat2 .7340 0 .011 4.8 |
|
Wat3 .5081 0 .513 5.3 |
|
Wat4 .5895 .9099 .964 4.4 |
|
Wat5 .0774 0 .911 .81 4.8 |
|
Wat6 .0986 0 .288 .80 5.3 |
|
Wat7 .4228 .0800 .037 .91 3.8 |
|
Wat8 .021 .0887 .491 .67 4.6 |
|
Wat9 .985 .090 .530 .40 5.1 |
|
Wat10 .909 0 .754 .60 8.4 |
|
Wat11 .921 0 .108 .73 9.5 |
|
Wat12 .537 0 .200 .40 3.95 |
|
Wat13 .238 0 .900 .19 2.1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Sr |
|
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 150 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002993 |
|
17.643 17.842 7.418 90 116.851 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1460 0 .6803 .49 2.8 .054 .023 .044 0 .036 0 |
|
Sr2 .8503 0 .3299 .310 3.1 .060 .030 .045 0 .039 0 |
|
Sr3 .4761 0 .7791 .809 5.53 .04 .000 .08 0 -.037 0 |
|
Sr4 .528 0 .215 .087 5.2 .049 .026 .073 0 -.027 0 |
|
Sr5 .184 0 .737 .26 5.4 .12 .010 .13 0 .11 0 |
|
Sr6 .785 0 .218 .034 1.3 |
|
Sr7 .711 0 -.036 .089 5.1 |
|
Si1 .8209 .8304 .9099 .75 1.27 .011 .020 .016 -.0027 .0055 -.0006 |
|
Al1 .8209 .8304 .9099 .25 1.27 .011 .020 .016 -.0027 .0055 -.0006 |
|
Si1' .1796 .1666 .0934 .75 1.21 .015 .018 .013 .0011 .0071 .0017 |
|
Al1' .1796 .1666 .0934 .25 1.21 .015 .018 .013 .0011 .0071 .0017 |
|
Si2 .7096 .9100 .5009 .75 1.70 .031 .016 .019 -.0025 .012 -.0009 |
|
Al2 .7096 .9100 .5009 .25 1.70 .031 .016 .019 -.0025 .012 -.0009 |
|
Si2' .2927 .0905 .5059 .75 1.31 .021 .013 .017 .0012 .0100 -.0019 |
|
Al2' .2927 .0905 .5059 .25 1.31 .021 .013 .017 .0012 .0100 -.0019 |
|
Si3 .7083 .6893 .7190 .75 1.24 .018 .020 .010 -.0030 .0065 -.0013 |
|
Al3 .7083 .6893 .7190 .25 1.24 .018 .020 .010 -.0030 .0065 -.0013 |
|
Si3' .2868 .3096 .2764 .75 1.28 .018 .014 .015 .0031 .0063 .0024 |
|
Al3' .2868 .3096 .2764 .25 1.28 .018 .014 .015 .0031 .0063 .0024 |
|
Si4 .9351 .7056 .5882 .75 1.34 .018 .017 .013 -.0045 .0044 .0000 |
|
Al4 .9351 .7056 .5882 .25 1.34 .018 .017 .013 -.0045 .0044 .0000 |
|
Si4' .0642 .2974 .4091 .75 1.47 .022 .020 .013 .0016 .0073 -.0001 |
|
Al4' .0642 .2974 .4091 .25 1.47 .022 .020 .013 .0016 .0073 -.0001 |
|
Si5 .0016 .79014 .0023 .75 1.29 .0137 .0194 .0134 -.003 .0038 -.001 |
|
Al5 .0016 .79014 .0023 .25 1.29 .0137 .0194 .0134 -.003 .0038 -.001 |
|
O1 .6981 0 .459 3.2 .070 .010 .041 0 .024 0 |
|
O1' .3126 0 .548 2.3 .044 .016 .014 0 .001 0 |
|
O2 .7605 .8764 .376 4.5 .094 .039 .070 .005 .064 -.015 |
|
O2' .2331 .1163 .615 2.3 .035 .031 .035 -.015 .028 -.014 |
|
O3 .8151 .8490 .120 2.7 .042 .035 .030 -.023 .022 -.011 |
|
O3' .1787 .1470 .8780 2.1 .030 .039 .017 -.008 .015 -.004 |
|
O4 .7615 .8914 .745 2.7 .033 .028 .026 .009 .001 .005 |
|
O4' .2444 .1080 .2580 2.0 .022 .034 .018 .001 .008 -.001 |
|
O5 .9943 .6810 .480 4.2 .060 .072 .048 -.028 .043 -.027 |
|
O6 .9183 .8410 .950 2.3 .014 .032 .040 -.001 .012 -.005 |
|
O6' .0830 .1532 .0714 1.51 .022 .014 .023 .000 .011 .006 |
|
O7 .6277 .7328 .544 3.5 .046 .036 .034 .018 .003 .017 |
|
O7' .3648 .2656 .448 5.0 .041 .054 .052 -.001 -.016 .022 |
|
O8 .9941 .7420 .8117 2.5 .023 .036 .033 -.010 .011 -.024 |
|
O8' .0137 .2687 .181 3.4 .035 .052 .024 .008 -.004 -.015 |
|
O9 .7908 .7453 .8393 2.0 .021 .029 .027 -.010 .012 -.010 |
|
O9' .2069 .2546 .1584 1.8 .023 .020 .024 -.002 .011 .000 |
|
O10 .8901 .6281 .6138 2.2 .026 .038 .019 -.006 .008 .000 |
|
O10' .1132 .3733 .406 3.5 .043 .018 .053 -.008 .007 .009 |
|
Wat1 .2667 0 .988 4.2 |
|
Wat3 .5110 0 .480 6.2 |
|
Wat4 .5825 .9090 .971 .36 1.2 |
|
Wat4' .607 .9074 .920 .43 4.4 |
|
Wat5 .070 0 .902 .80 5.1 |
|
Wat6 .096 0 .274 .49 3.4 |
|
Wat7 .425 .082 .035 .73 10.0 |
|
Wat8 .016 .092 .486 .36 3.9 |
|
Wat9 .981 .092 .508 .43 7.0 |
|
Wat11 .890 0 .219 .41 10.44 |
|
Wat11' .925 0 .098 .61 8.9 |
|
Wat12 .758 0 .081 .36 1.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Sr |
|
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 200 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002994 |
|
17.642 17.775 7.414 90 116.897 90 Cm |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Sr1 .1439 0 .679 .256 2.6 |
|
Sr1' .8459 0 .324 .148 2.1 |
|
Sr2 .7917 0 .230 .180 2.4 |
|
Sr2' .2117 0 .831 .16 2.1 |
|
Sr3 .4803 0 .7675 5.47 .601 .048 .023 .074 0 -.028 0 |
|
Sr3' .516 0 .253 .110 3.5 |
|
Sr4 .544 0 .204 .055 3.88 |
|
Sr5 .1851 0 .743 .28 1.2 |
|
Sr6 .7456 0 .047 .189 5.1 |
|
Sr6' .259 0 .910 .12 .1 |
|
Sr8 .912 0 .67 .18 28.6 |
|
Si1 .8202 .8318 .9128 .75 1.45 .014 .021 .018 -.004 .006 -.002 |
|
Al1 .8202 .8318 .9128 .25 1.45 .014 .021 .018 -.004 .006 -.002 |
|
Si1' .1794 .1651 .0970 .75 1.28 .014 .022 .013 -.0004 .007 .002 |
|
Al1' .1794 .1651 .0970 .25 1.28 .014 .022 .013 -.0004 .007 .002 |
|
Si2 .7069 .9095 .5002 .75 1.72 .035 .017 .014 -.002 .012 -.003 |
|
Al2 .7069 .9095 .5002 .25 1.72 .035 .017 .014 -.002 .012 -.003 |
|
Si2' .2945 .0901 .5104 .75 1.66 .023 .017 .025 .001 .012 .001 |
|
Al2' .2945 .0901 .5104 .25 1.66 .023 .017 .025 .001 .012 .001 |
|
Si3 .7102 .6886 .7234 .75 1.44 .020 .020 .016 -.002 .009 .000 |
|
Al3 .7102 .6886 .7234 .25 1.44 .020 .020 .016 -.002 .009 .000 |
|
Si3' .2852 .3102 .2751 .75 1.37 .021 .017 .013 .001 .006 .000 |
|
Al3' .2852 .3102 .2751 .25 1.37 .021 .017 .013 .001 .006 .000 |
|
Si4 .9345 .7082 .5893 .75 1.56 .024 .022 .012 -.006 .006 -.002 |
|
Al4 .9345 .7082 .5893 .25 1.56 .024 .022 .012 -.006 .006 -.002 |
|
Si4' .0639 .2952 .4115 .75 1.69 .022 .023 .018 .002 .008 .002 |
|
Al4' .0639 .2952 .4115 .25 1.69 .022 .023 .018 .002 .008 .002 |
|
Si5 .0011 .79257 .0043 .75 1.42 .0156 .0199 .0158 -.002 .0047 -.003 |
|
Al5 .0011 .79257 .0043 .25 1.42 .0156 .0199 .0158 -.002 .0047 -.003 |
|
O1 .6926 0 .455 3.0 .074 .020 .013 0 .012 0 |
|
O1' .3139 0 .555 3.6 .058 .018 .043 0 .007 0 |
|
O2 .7568 .8780 .372 4.6 .082 .042 .086 -.004 .068 -.027 |
|
O2' .2365 .1159 .623 3.4 .055 .045 .046 -.020 .039 -.022 |
|
O3 .8115 .8520 .118 2.9 .056 .035 .032 -.011 .030 -.010 |
|
O3' .1814 .1460 .884 2.3 .035 .035 .020 -.014 .015 -.004 |
|
O4 .7589 .8921 .745 2.9 .038 .046 .017 .008 .004 .006 |
|
O4' .2431 .1068 .261 2.3 .017 .027 .037 -.002 .005 .003 |
|
O5 .9916 .6849 .481 5.3 .083 .080 .073 -.033 .065 -.039 |
|
O6 .9178 .8440 .956 2.3 .015 .026 .045 -.003 .012 -.008 |
|
O6' .0825 .1513 .071 1.9 .024 .026 .028 .001 .016 .011 |
|
O7 .6310 .7323 .548 4.2 .053 .039 .044 .010 .000 .024 |
|
O7' .3650 .2671 .448 5.5 .052 .053 .059 .001 -.013 .018 |
|
O8 .9926 .7447 .812 2.9 .033 .044 .034 -.015 .015 -.028 |
|
O8' .0159 .2675 .182 3.7 .035 .047 .036 .009 -.005 -.017 |
|
O9 .7923 .7450 .843 2.1 .027 .026 .024 -.008 .010 -.006 |
|
O9' .2077 .2526 .158 1.9 .022 .027 .028 -.006 .017 -.005 |
|
O10 .8913 .6304 .616 2.4 .028 .032 .029 -.007 .012 .000 |
|
O10' .1104 .3739 .410 3.8 .050 .027 .047 -.007 .003 .005 |
|
Wat1 .292 0 .040 .65 4.5 |
|
Wat1' .2483 0 .961 .36 4.3 |
|
Wat3 .507 0 .450 .97 7.9 |
|
Wat4 .576 .9086 .982 .44 4.3 |
|
Wat4' .611 .908 .900 .50 6.1 |
|
Wat5 .073 0 .886 .58 2.8 |
|
Wat7 .469 .069 .025 .61 23.7 |
|
Wat7' .404 .093 .059 .19 2.7 |
|
Wat8 .015 .092 .508 .26 4.2 |
|
Wat9 .974 .092 .54 .06 1.6 |
|
Wat11 .898 0 .17 .5 12.7 |
|
Wat11' .919 0 .086 .6 6.51 |
|
Wat13 .636 0 -.090 .8 24.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Sr |
|
Dobelin N, Armbruster T |
|
American Mineralogist 88 (2003) 527-533 |
|
Stepwise dehydration of Sr-exchanged heulandite: |
|
A single-crystal X-ray study |
|
Note: dehydrated at 250 deg C, measured at -170 deg C |
|
_database_code_amcsd 0002995 |
|
17.60 17.59 7.408 90 116.76 90 Cm |
|
atom x y z occ Biso |
|
Sr1 1.183 0 1.732 .31 4.0 |
|
Sr1' .955 0 .61 .03 3.95 |
|
Sr2 .799 0 .238 .12 .1 |
|
Sr2' 1.212 0 1.814 .18 2.8 |
|
Sr3 1.472 0 1.791 .19 3.1 |
|
Sr3' 1.521 0 1.254 .08 3.95 |
|
Sr4 1.487 0 1.718 .31 4.3 |
|
Sr7 .760 0 .058 .22 3.0 |
|
Sr7' 1.249 0 1.939 .29 2.9 |
|
Si1 .8169 .8321 .906 .75 1.9 |
|
Al1 .8169 .8321 .906 .25 1.9 |
|
Si1' 1.1777 1.1630 1.094 .75 2.4 |
|
Al1' 1.1777 1.1630 1.094 .25 2.4 |
|
Si2 .6956 .9100 .484 .75 2.9 |
|
Al2 .6956 .9100 .484 .25 2.9 |
|
Si2' 1.2890 1.0895 1.499 .75 1.9 |
|
Al2' 1.2890 1.0895 1.499 .25 1.9 |
|
Si3 .7112 .6898 .727 .75 1.8 |
|
Al3 .7112 .6898 .727 .25 1.8 |
|
Si3' 1.2859 1.3142 1.277 .75 3.0 |
|
Al3' 1.2859 1.3142 1.277 .25 3.0 |
|
Si4 .9342 .7038 .589 .75 2.3 |
|
Al4 .9342 .7038 .589 .25 2.3 |
|
Si4' 1.0639 1.2875 1.413 .75 2.6 |
|
Al4' 1.0639 1.2875 1.413 .25 2.6 |
|
Si5 .9967 .7943 .996 .75 2.28 |
|
Al5 .9967 .7943 .996 .25 2.28 |
|
O1 .701 0 .434 5.7 |
|
O1' 1.319 0 1.555 2.9 |
|
O2 .766 .883 .386 3.8 |
|
O2' 1.257 1.115 1.660 5.1 |
|
O3 .801 .859 1.106 4.0 |
|
O3' 1.178 1.1475 .883 2.0 |
|
O4 .750 .903 .738 3.6 |
|
O4' 1.235 1.110 1.254 2.8 |
|
O5 .984 .687 .467 5.2 |
|
O6 .914 .847 .964 3.6 |
|
O6' 1.079 1.1518 1.066 2.1 |
|
O7 .637 .727 .539 4.5 |
|
O7' 1.375 1.264 1.444 5.4 |
|
O8 .987 .7464 .798 2.2 |
|
O8' 1.022 1.267 1.177 6.0 |
|
O9 .7948 .7452 .848 1.6 |
|
O9' 1.213 1.249 1.167 3.5 |
|
O10 .889 .639 .609 4.6 |
|
O10' 1.107 1.377 1.401 4.3 |
|
Wat1 1.292 0 2.027 5.2 |
|
Wat3 1.508 0 1.49 18.8 |
|
Wat4' 1.613 .850 1.98 .35 7.1 |
|
Wat5 1.076 0 1.898 .71 3.3 |
|
Wat7 1.470 1.094 2.005 .47 4.9 |
|
Wat7' 1.391 1.089 2.077 .7 8.4 |
|
Wat8 1.019 1.072 1.54 .36 7.0 |
|
Wat11' .905 0 2.153 .53 4.2 |
|
Wat13 .725 0 .079 4.1 |
|
Wat14 1.078 0 1.35 .3 4.5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite |
|
Yang P, Armbruster T |
|
European Journal of Mineralogy 10 (1998) 461-471 |
|
X-ray single-crystal structure refinement of NH4-exchanged |
|
heulandite at 100 K |
|
_database_code_amcsd 0006729 |
|
17.738 17.974 7.416 90 115.91 90 C2/m |
|
atom x y z occ Biso |
|
N1 .0072 .1010 .403 .5 6.8 |
|
N3 -.2416 1/2 -.0544 3.4 |
|
N14 .507 0 .414 .24 3.27 |
|
SiT1 .17857 .16916 .0971 .857 .99 |
|
AlT1 .17857 .16916 .0971 .143 .99 |
|
SiT2 .28355 .08899 .4890 .52 1.00 |
|
AlT2 .28355 .08899 .4890 .48 1.00 |
|
SiT3 .29252 .30907 .2865 .808 .97 |
|
AlT3 .29252 .30907 .2865 .192 .97 |
|
SiT4 .06787 .29826 .4213 .887 1.09 |
|
AlT4 .06787 .29826 .4213 .113 1.09 |
|
SiT5 0 .22078 0 .659 1.39 |
|
AlT5 0 .22078 0 .341 1.39 |
|
O1 .3029 0 .5399 2.13 |
|
O2 .2332 .1210 .6155 2.35 |
|
O3 .1899 .1559 -.1062 2.54 |
|
O4 .2248 .1005 .2445 2.60 |
|
O5 0 .3256 1/2 2.86 |
|
O6 .0803 .1657 .0457 2.90 |
|
O7 .3789 .2723 .4512 2.71 |
|
O8 .0154 .2749 .1895 3.60 |
|
O9 .2182 .2478 .2026 2.07 |
|
O10 .1253 .3698 .4393 3.11 |
|
Wat1 .0709 0 .161 .81 9.4 |
|
Wat2 .473 0 .846 .29 9.7 |
|
Wat3 .072 0 -.243 .50 12.2 |
|
Wat4 0 .436 0 .16 5.3 |
|
Wat5 .390 1/2 .375 .36 8.76 |
|
Wat8 .387 -.104 .108 .24 7.68 |
|
Wat9 .451 .544 .737 .24 14.90 |
|
Wat10 .400 -.101 .029 .13 .70 |
|
Wat11 .575 -.088 .002 .34 8.9 |
|
Wat12 .077 .436 -.111 .26 6.56 |
|
Wat14 .482 0 .480 .34 7.1 |
|
H11 0 .126 1/2 .5 9.47 |
|
H12 .043 .063 .461 .5 9.47 |
|
H13 -.042 .082 .32 .5 9.47 |
|
H14 .029 .131 .34 .5 9.47 |
|
H31 -.216 1/2 -.13 9.47 |
|
H32 -.298 1/2 -.13 9.47 |
|
H33 -.227 .536 .035 9.47 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Comodi P, Gatta G D, Zanazzi P F |
|
European Journal of Mineralogy 13 (2001) 497-505 |
|
High-pressure structural behaviour of heulandite |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0006866 |
|
17.729 17.909 7.433 90 116.52 90 C2/m |
|
atom x y z occ Uiso |
|
NaCS1 .1523 0 .6735 .43 .045 |
|
KCS1 .1523 0 .6735 .10 .045 |
|
CaCS1 .1523 0 .6735 .1625 .045 |
|
BaCS1 .1523 0 .6735 .0075 .045 |
|
SrCS1 .1523 0 .6735 .2175 .045 |
|
CaCS2 .0398 .5 .2024 .5 .033 |
|
AlT1 .1795 .1698 .0966 .192 .0144 |
|
SiT1 .1795 .1698 .0966 .808 .0144 |
|
SiT2 .2109 .4098 .4988 .637 .0150 |
|
AlT2 .2109 .4098 .4988 .363 .0150 |
|
SiT3 .2084 .1903 .7174 .801 .0145 |
|
AlT3 .2084 .1903 .7174 .199 .0145 |
|
SiT4 .0645 .2978 .4100 .806 .0146 |
|
AlT4 .0645 .2978 .4100 .194 .0146 |
|
SiT5 0 .2126 0 .666 .0154 |
|
AlT5 0 .2126 0 .334 .0154 |
|
O1 .1940 .5 .455 .029 |
|
O2 .2317 .1190 .6143 .031 |
|
O3 .1829 .1533 .8849 .028 |
|
O4 .2388 .1068 .2567 .027 |
|
O5 0 .3252 .5 .032 |
|
O6 .0821 .1579 .0642 .023 |
|
O7 .1272 .2349 .5483 .037 |
|
O8 .0084 .2659 .1841 .030 |
|
O9 .2105 .2540 .1750 .029 |
|
O10 .1148 .3724 .3962 .026 |
|
Wat1 .2242 .5 -.009 .052 |
|
Wat2 .080 0 .880 .106 |
|
Wat3 .0773 .4173 .970 .065 |
|
Wat4 0 .5 .5 .077 |
|
Wat5 0 .091 .5 .19 |
|
Wat6 .095 0 .288 .121 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Comodi P, Gatta G D, Zanazzi P F |
|
European Journal of Mineralogy 13 (2001) 497-505 |
|
High-pressure structural behaviour of heulandite |
|
Sample: P = 1.45 GPa |
|
_database_code_amcsd 0006867 |
|
17.481 17.625 7.345 90 116.73 90 C2/m |
|
atom x y z occ Uiso |
|
NaCS1 .1503 0 .675 .43 .043 |
|
KCS1 .1503 0 .675 .10 .043 |
|
CaCS1 .1503 0 .675 .1625 .043 |
|
BaCS1 .1503 0 .675 .0075 .043 |
|
SrCS1 .1503 0 .675 .2175 .043 |
|
CaCS2 .033 .5 .185 .5 .028 |
|
AlT1 .1818 .164 .101 .192 .014 |
|
SiT1 .1818 .164 .101 .808 .014 |
|
SiT2 .2071 .409 .490 .637 .019 |
|
AlT2 .2071 .409 .490 .363 .019 |
|
SiT3 .2072 .189 .716 .801 .012 |
|
AlT3 .2072 .189 .716 .199 .012 |
|
SiT4 .0606 .295 .403 .806 .018 |
|
AlT4 .0606 .295 .403 .194 .018 |
|
SiT5 0 .205 0 .666 .018 |
|
AlT5 0 .205 0 .334 .018 |
|
O1 .191 .5 .451 .04 |
|
O2 .229 .120 .607 .020 |
|
O3 .182 .144 .884 .031 |
|
O4 .248 .105 .264 .020 |
|
O5 0 .329 .5 .029 |
|
O6 .087 .146 .085 .027 |
|
O7 .127 .240 .550 .045 |
|
O8 .003 .261 .185 .029 |
|
O9 .207 .257 .170 .033 |
|
O10 .112 .367 .376 .036 |
|
Wat1 .223 .5 -.003 .04 |
|
Wat2 .079 0 .875 .08 |
|
Wat3 .078 .408 .948 .06 |
|
Wat4 0 .5 .5 .07 |
|
Wat5 0 .084 .5 .21 |
|
Wat6 .101 0 .321 .07 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Comodi P, Gatta G D, Zanazzi P F |
|
European Journal of Mineralogy 13 (2001) 497-505 |
|
High-pressure structural behaviour of heulandite |
|
Sample: P = 3.4 GPa |
|
_database_code_amcsd 0006868 |
|
17.124 17.376 7.237 90 116.93 90 C2/m |
|
atom x y z occ Uiso |
|
NaCS1 .1431 0 .673 .43 .038 |
|
KCS1 .1431 0 .673 .10 .038 |
|
CaCS1 .1431 0 .673 .1625 .038 |
|
BaCS1 .1431 0 .673 .0075 .038 |
|
SrCS1 .1431 0 .673 .2175 .038 |
|
CaCS2 .027 .5 .158 .5 .09 |
|
AlT1 .183 .166 .103 .192 .013 |
|
SiT1 .183 .166 .103 .808 .013 |
|
SiT2 .2014 .415 .479 .637 .014 |
|
AlT2 .2014 .415 .479 .363 .014 |
|
SiT3 .2075 .189 .719 .801 .017 |
|
AlT3 .2075 .189 .719 .199 .017 |
|
SiT4 .0563 .293 .393 .806 .017 |
|
AlT4 .0563 .293 .393 .194 .017 |
|
SiT5 0 .199 0 .666 .019 |
|
AlT5 0 .199 0 .334 .019 |
|
O1 .168 .5 .407 .06 |
|
O2 .227 .117 .612 .041 |
|
O3 .179 .148 .887 .027 |
|
O4 .256 .101 .264 .027 |
|
O5 0 .338 .5 .05 |
|
O6 .088 .144 .096 .019 |
|
O7 .120 .239 .548 .048 |
|
O8 -.007 .248 .177 .031 |
|
O9 .209 .252 .175 .016 |
|
O10 .106 .359 .350 .033 |
|
Wat1 .229 .5 .005 .03 |
|
Wat2 .079 0 .884 .09 |
|
Wat3 .088 .407 .942 .09 |
|
Wat4 0 .5 .5 .09 |
|
Wat5 0 .093 .5 .08 |
|
Wat6 .104 0 .319 .05 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ca |
|
Comodi P, Gatta G D, Zanazzi P F |
|
European Journal of Mineralogy 13 (2001) 497-505 |
|
High-pressure structural behaviour of heulandite |
|
Sample: P = .0001 GPa (after compression) |
|
_database_code_amcsd 0006869 |
|
17.774 17.824 7.438 90 116.38 90 C2/m |
|
atom x y z occ Uiso |
|
NaCS1 .1543 0 .6757 .43 .044 |
|
KCS1 .1543 0 .6757 .10 .044 |
|
CaCS1 .1543 0 .6757 .1625 .044 |
|
BaCS1 .1543 0 .6757 .0075 .044 |
|
SrCS1 .1543 0 .6757 .2175 .044 |
|
CaCS2 .0408 .5 .2003 .5 .028 |
|
AlT1 .1796 .1682 .0957 .192 .0142 |
|
SiT1 .1796 .1682 .0957 .808 .0142 |
|
SiT2 .2109 .4098 .4985 .637 .0143 |
|
AlT2 .2109 .4098 .4985 .363 .0143 |
|
SiT3 .2088 .1910 .7183 .801 .0138 |
|
AlT3 .2088 .1910 .7183 .199 .0138 |
|
SiT4 .0643 .2984 .4111 .806 .0145 |
|
AlT4 .0643 .2984 .4111 .194 .0145 |
|
SiT5 0 .2115 0 .666 .0165 |
|
AlT5 0 .2115 0 .334 .0165 |
|
O1 .1953 .5 .450 .028 |
|
O2 .2316 .1206 .6116 .029 |
|
O3 .1854 .1524 .8855 .029 |
|
O4 .2403 .1059 .2566 .027 |
|
O5 0 .3266 .5 .034 |
|
O6 .0833 .1558 .0626 .025 |
|
O7 .1271 .2348 .5542 .038 |
|
O8 .0094 .2658 .1863 .035 |
|
O9 .2099 .2532 .1756 .027 |
|
O10 .1151 .3726 .3975 .028 |
|
Wat1 .2223 .5 -.009 .048 |
|
Wat2 .0795 0 .875 .111 |
|
Wat3 .0769 .4172 .969 .062 |
|
Wat4 0 .5 .5 .074 |
|
Wat5 0 .0909 .5 .21 |
|
Wat6 .097 0 .291 .13 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Ba |
|
Larsen A O, Nordrum F S, Dobelin N, Armbruster T, Petersen O V, Erambert M |
|
European Journal of Mineralogy 17 (2005) 143-153 |
|
Heulandite-Ba, a new zeolite species from Norway |
|
Locality: Northern Ravnas silver prospect, southern Vinoren, Flesberg community, |
|
Buskerud county, Norway (Kongsberg ore district) |
|
_database_code_amcsd 0007089 |
|
17.738 17.856 7.419 90 116.55 90 C2/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .35504 .5 .3237 .359 2.48 .0362 .0228 .0351 0 .0156 0 |
|
Ba2 .2528 .5 .0768 .190 2.67 .041 .0143 .057 0 .031 0 |
|
Ca .4584 0 .8014 .392 2.20 .018 .031 .028 0 .0047 0 |
|
K .219 .5 .987 .41 5.9 .065 .061 .108 0 .047 0 |
|
Na .463 0 .725 .05 1.9 |
|
Si1 .17934 .16850 .09567 .75 1.070 .0112 .0171 .0122 -.0007 .0051 .0007 |
|
Al1 .17934 .16850 .09567 .25 1.070 .0112 .0171 .0122 -.0007 .0051 .0007 |
|
Si2 .28857 .08986 .50023 .75 1.088 .0152 .0120 .0143 .0001 .0069 .0001 |
|
Al2 .28857 .08986 .50023 .25 1.088 .0152 .0120 .0143 .0001 .0069 .0001 |
|
Si3 .29214 .30922 .28287 .75 1.092 .0146 .0152 .0124 .0006 .0066 .0006 |
|
Al3 .29214 .30922 .28287 .25 1.092 .0146 .0152 .0124 .0006 .0066 .0006 |
|
Si4 .43568 .20123 .58874 .75 1.079 .0120 .0163 .0121 -.0006 .0049 .0003 |
|
Al4 .43568 .20123 .58874 .25 1.079 .0120 .0163 .0121 -.0006 .0049 .0003 |
|
Si5 0 .21324 0 .75 1.13 .0117 .0179 .0124 0 .0045 0 |
|
Al5 0 .21324 0 .25 1.13 .0117 .0179 .0124 0 .0045 0 |
|
O1 .3047 0 .5494 2.46 .041 .015 .027 0 .006 0 |
|
O2 .2684 .3798 .3889 2.39 .032 .034 .033 -.0030 .0212 -.0094 |
|
O3 .3171 .3492 .1177 2.06 .035 .030 .0204 -.0051 .0182 -.0017 |
|
O4 .2385 .1047 .2545 2.11 .0275 .029 .0191 .0087 .0068 .0044 |
|
O5 .5 .1733 .5 2.45 .035 .034 .038 0 .028 0 |
|
O6 .0821 .1586 .0636 1.83 .0153 .0250 .0290 .0004 .0099 .0022 |
|
O7 .3745 .2660 .4498 3.09 .036 .037 .035 .016 .0078 .017 |
|
O8 .0086 .2677 .1850 2.50 .0268 .037 .0251 .0000 .0065 -.0144 |
|
O9 .2115 .2531 .1753 2.13 .0227 .0248 .035 -.0091 .0147 -.0090 |
|
O10 .3839 .1275 .5997 2.25 .0237 .027 .033 -.0082 .0114 .0004 |
|
Wat1 .5774 .0816 .9728 .75 3.91 .049 .050 .048 .000 .020 -.003 |
|
Wat2 .405 .5 .155 .36 15 |
|
Wat3 .5 0 .5 0 7.5 .098 .046 .151 0 .063 0 |
|
Wat4 .425 .5 .091 .641 8.4 .09 .072 .15 0 .044 0 |
|
Wat5 .4824 .4051 .507 .5 7.6 .060 .058 .134 -.007 .01 .002 |
|
Wat6 .4074 .5 .719 .72 9.2 .078 .15 .124 0 .046 0 |
|
Wat7 .605 .091 .922 .25 6.0 |
|
Wat8 .385 .5 .481 .15 4.74 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Heulandite-Na |
|
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 |
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_database_code_amcsd 0013884 |
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17.6770 17.931 7.426 90 116.47 90 C2/m |
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atom x y z occ Biso |
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Na1 .025 -.091 .481 .13 8.0 |
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Na3 .179 0 .676 .58 2.6 |
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Na4 .0358 .485 .250 .29 3.3 |
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Ca1 .156 0 .680 .22 3.6 |
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Ca2 .5420 0 .194 .16 1.4 |
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Al1 .17931 .17025 .09656 .23 .948 |
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Si1 .17931 .17025 .09656 .77 .948 |
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Al2 .28931 .08985 .5006 .42 1.12 |
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Si2 .28931 .08985 .5006 .58 1.12 |
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Al3 .29150 .31041 .28324 .2 .940 |
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Si3 .29150 .31041 .28324 .8 .940 |
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Al4 .06468 .29752 .41023 .15 1.051 |
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Si4 .06468 .29752 .41023 .85 1.051 |
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Al5 0 .21311 0 .15 1.01 |
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Si5 0 .21311 0 .85 1.01 |
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O1 .3058 0 .5423 2.21 |
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O2 .2323 .1181 .6157 1.98 |
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O3 .1811 .1545 .8823 2.27 |
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O4 .2387 .1072 .2539 1.98 |
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O5 0 .3242 .5 2.39 |
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O6 .0818 .1587 .0646 1.63 |
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O7 .3717 .2666 .4541 2.82 |
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O8 .0079 .2666 .1831 2.27 |
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O9 .2099 .2551 .1765 1.68 |
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O10 .1148 .3719 .3973 2.03 |
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Wat1 .2203 .5 -.0155 .96 3.53 |
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Wat2 .4264 .0745 .0244 .66 4.1 |
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Wat3 .083 0 .873 .34 12.07 |
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Wat4 0 .5 .5 8.0 |
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Wat5 .0606 -.0376 .708 .33 3.6 |
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Wat6 .0938 0 .285 .58 3.4 |
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Wat7 .418 .459 .643 .14 4.9 |
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Wat8 -.092 .601 .090 .24 4.7 |
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Wat9 .067 0 .15 .16 7.90 |
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Wat10 .219 0 .90 .07 7.90 |
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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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Heulandite-K |
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Yang P, Armbruster T |
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Journal of Solid State Chemistry 123 (1996) 140-149 |
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Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure |
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refinements at 100 K |
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Sample: T = 100 K |
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Locality: Nasik, India |
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_database_code_amcsd 0013885 |
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17.636 17.9340 7.397 90 116.00 90 C2/m |
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atom x y z occ Biso |
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K1 .0101 -.0967 .413 .26 12.3 |
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K3 .7552 .5 -.0582 .90 2.29 |
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K3' .290 0 .048 .06 3.8 |
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K4 .0290 .5 .1708 .44 3.47 |
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K4' .013 .5 .425 .10 3.95 |
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K4" .5 0 .5 .16 3.95 |
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Al1 .17999 .16907 .1019 .23 1.01 |
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Si1 .17999 .16907 .1019 .77 1.01 |
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Al2 .28612 .08907 .4982 .42 1.12 |
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Si2 .28612 .08907 .4982 .58 1.12 |
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Al3 .29382 .30981 .2857 .2 1.03 |
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Si3 .29382 .30981 .2857 .8 1.03 |
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Al4 .06515 .29789 .4134 .15 1.04 |
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Si4 .06515 .29789 .4134 .85 1.04 |
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Al5 0 .21625 0 .15 1.16 |
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Si5 0 .21625 0 .85 1.16 |
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O1 .3052 0 .5475 2.60 |
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O2 .2302 .1192 .6140 2.24 |
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O3 .1858 .1555 .8916 2.15 |
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O4 .2321 .1018 .2510 1.99 |
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O5 0 .3272 .5 2.69 |
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O6 .0814 .1624 .0624 1.76 |
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O7 .3789 .2709 .4521 2.56 |
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O8 .0086 .2695 .1843 2.30 |
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O9 .2160 .2504 .1968 1.91 |
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O10 .1211 .3687 .4101 2.04 |
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Wat1 .089 0 .018 .18 4.2 |
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Wat2 .3991 -.0930 .0461 6.29 |
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Wat3 -.0811 0 .216 .73 6.5 |
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Wat4 0 0 0 .16 1.70 |
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Wat5 .0753 0 .183 .98 4.1 |
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Wat6 .513 0 .318 .12 .9 |
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Wat7 .021 0 .07 .14 1.60 |
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Wat8 .104 0 .480 .18 9.70 |
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Wat9 0 .459 .02 .12 9.67 |
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Wat10 .862 0 .316 .17 .9 |
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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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