American Mineralogist Crystal Structure Database

23 matching records for this search.

Heulandite-Ca
 
Merkle A B, Slaughter M
Download am/vol52/AM52_273.pdf
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
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Heulandite-Ca
 
Merkle A B, Slaughter M
Download am/vol53/AM53_1120.pdf
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
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Heulandite-Ca
 
Mortier W J, Pearce J R
Download am/vol66/AM66_309.pdf
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
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Heulandite-Ca
 
Gunter M E, Armbruster T, Kohler T, Knowles C R
Download am/vol79/AM79_675.pdf
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
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Heulandite-Na
 
Gunter M E, Armbruster T, Kohler T, Knowles C R
Download am/vol79/AM79_675.pdf
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
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View JMOL 3-D Structure (permalink)
 
Heulandite
Download hom/heulandite.pdf
Gunter M E, Armbruster T, Kohler T, Knowles C R
Download am/vol79/AM79_675.pdf
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
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Heulandite
Download hom/heulandite.pdf
Wust T, Stolz J, Armbruster T
Download am/vol84/AM84_1126.pdf
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
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Heulandite
Download hom/heulandite.pdf
Wust T, Stolz J, Armbruster T
Download am/vol84/AM84_1126.pdf
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
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Heulandite
Download hom/heulandite.pdf
Wust T, Stolz J, Armbruster T
Download am/vol84/AM84_1126.pdf
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
Download hom/heulandite.pdf
Wust T, Stolz J, Armbruster T
Download am/vol84/AM84_1126.pdf
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
WatC33  .231     .5  -.01  .08  3.95
WatC4   .284      0   .23  .17   2.2
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Heulandite-Sr
 
Dobelin N, Armbruster T
Download am/vol88/AM88_527.pdf
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
Download am/vol88/AM88_527.pdf
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
Download am/vol88/AM88_527.pdf
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
Download am/vol88/AM88_527.pdf
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
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Heulandite-Sr
 
Dobelin N, Armbruster T
Download am/vol88/AM88_527.pdf
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
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Heulandite
Download hom/heulandite.pdf
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
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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
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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
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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
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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
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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
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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
_database_code_amcsd 0013884
17.6770 17.931 7.426 90 116.47 90 C2/m
atom       x      y      z occ  Biso
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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Heulandite-K
 
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
_database_code_amcsd 0013885
17.636 17.9340 7.397 90 116.00 90 C2/m
atom       x      y      z occ Biso
K1     .0101 -.0967   .413 .26 12.3
K3     .7552     .5 -.0582 .90 2.29
K3'     .290      0   .048 .06  3.8
K4     .0290     .5  .1708 .44 3.47
K4'     .013     .5   .425 .10 3.95
K4"       .5      0     .5 .16 3.95
Al1   .17999 .16907  .1019 .23 1.01
Si1   .17999 .16907  .1019 .77 1.01
Al2   .28612 .08907  .4982 .42 1.12
Si2   .28612 .08907  .4982 .58 1.12
Al3   .29382 .30981  .2857  .2 1.03
Si3   .29382 .30981  .2857  .8 1.03
Al4   .06515 .29789  .4134 .15 1.04
Si4   .06515 .29789  .4134 .85 1.04
Al5        0 .21625      0 .15 1.16
Si5        0 .21625      0 .85 1.16
O1     .3052      0  .5475     2.60
O2     .2302  .1192  .6140     2.24
O3     .1858  .1555  .8916     2.15
O4     .2321  .1018  .2510     1.99
O5         0  .3272     .5     2.69
O6     .0814  .1624  .0624     1.76
O7     .3789  .2709  .4521     2.56
O8     .0086  .2695  .1843     2.30
O9     .2160  .2504  .1968     1.91
O10    .1211  .3687  .4101     2.04
Wat1    .089      0   .018 .18  4.2
Wat2   .3991 -.0930  .0461     6.29
Wat3  -.0811      0   .216 .73  6.5
Wat4       0      0      0 .16 1.70
Wat5   .0753      0   .183 .98  4.1
Wat6    .513      0   .318 .12   .9
Wat7    .021      0    .07 .14 1.60
Wat8    .104      0   .480 .18 9.70
Wat9       0   .459    .02 .12 9.67
Wat10   .862      0   .316 .17   .9
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