American Mineralogist Crystal Structure Database

1 matching records for this search.

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
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