American Mineralogist Crystal Structure Database

2 matching records for this search.

Trinepheline
 
Kahlenberg V, Bohm H
Download am/vol83/AM83_631.pdf
American Mineralogist 83 (1998) 631-637
Crystal structure of hexagonal trinepheline - A new synthetic
NaAlSiO4 modification
Locality: synthetic
_database_code_amcsd 0002011
9.995 9.995 24.797 90 90 120 P6_1
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .0205 -.4352  .0356   .018   .016   .018   .011  -.004   .000
Na2  .4735 -.5579  .0303   .016   .020   .022   .007   .007  -.002
Na3  .5183 -.4426  .1864   .019   .022   .028   .001   .006  -.008
Na4  .0043 -.9851  .0280   .036   .045   .037   .017  -.019   .000
All  .3266 -.9020  .0864   .007   .006   .008   .003  -.001   .000
Al2  .8807 -.7544  .0917   .006   .007   .008   .003   .000  -.001
Al3  .8111 -.2920  .0954   .006   .005   .009   .003  -.001  -.001
Al4  .3308 -.3548  .0906   .005   .005   .009   .002   .001   .002
Si1  .2024 -.6964  .1279   .006   .006   .007   .003   .001   .000
Si2  .3637 -.2977 -.0374   .005   .007   .012   .003   .001   .002
Si3  .9122 -.7636 -.0350   .004   .006   .008   .002  -.001   .000
Si4  .1334 -.2218  .1358   .007   .006   .007   .003   .000  -.001
O1   .3137 -.5371  .0967   .011   .006   .020   .003   .005   .004
O2   .0584 -.6637 -.0741   .007   .016   .013   .006   .002   .004
O3   .0281 -.7271  .1362   .007   .014   .012   .006  -.001  -.001
O4   .2765 -.6869  .1869   .010   .022   .008   .010  -.001  -.002
O5   .0581 -.2459  .1950   .012   .016   .011   .000   .002  -.003
O6   .1918 -.8413  .0955   .010   .009   .016   .006  -.002  -.005
O7   .6810 -.4652  .1264   .011   .007   .029   .004   .007   .006
O8   .8617 -.9457 -.0394   .011   .006   .020   .003  -.007  -.002
O9   .9600 -.7096  .0271   .015   .014   .008   .001   .001   .000
O10  .7696 -.7413 -.0507   .016   .022   .036   .015  -.005  -.001
O11  .1799 -.3546  .1262   .009   .009   .017   .005   .003   .002
O12  .5167 -.7515  .0918   .007   .014   .015   .000  -.002   .002
O13  .2881 -.0533  .1303   .009   .006   .011   .001  -.003   .002
O14  .3024 -.3226  .0239   .019   .026   .010   .013   .003   .006
O15  .0045 -.2438  .0920   .006   .012   .011   .005  -.001  -.001
O16  .8212 -.6234  .1086   .007   .007   .030   .004   .004   .000
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Trinepheline
 
Vulic P, Kahlenberg V, Konzett J
Download am/vol93/AM93_1072.pdf
American Mineralogist 93 (2008) 1072-1079
On the existence of a Na-deficient monoclinic trinepheline with composition
Na7.85Al7.85Si8.15O32
Locality: synthetic
_database_code_amcsd 0004612
9.9897 9.9622 24.979 90 90 119.788 P2_1
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1a .9921 .4366 .9717      .023   .023   .023   .026   .014   .000   .000
Na1b .5617 .5500 .6300      .023   .026   .024   .019   .011  -.003  -.007
Na1c .5459 .9763 .8033      .026   .022   .038   .018   .016  -.004  -.007
Na2a .5302 .5497 .9730      .024   .024   .028   .019   .012  -.001  -.003
Na2b .4511 .0147 .6410      .025   .022   .040   .020   .020  -.002  -.002
Na2c .9594 .5273 .8031      .026   .031   .024   .024   .015   .009   .012
Na3a .4411 .4527 .8149      .022   .021   .014   .024   .004   .002  -.002
Na3b .4298 .9931 .9722      .021   .021   .027   .017   .013  -.002  -.001
Na3c .0353 .4702 .6401      .027   .029   .023   .025   .010   .009   .003
Na4a .9637 .9596 .9723 .852 .057   .066   .067   .037   .032   .000  -.002
Na4b .9828 .9842 .6433      .091   .174   .095   .062   .111  -.053  -.051
Na4c .0431 .0355 .7974 .923 .054   .050   .074   .054   .043  -.030  -.036
Al1a .6539 .9027 .9106      .010   .012   .009   .010   .006   .000   .000
Al1b .1137 .7767 .5822      .011   .013   .012   .010   .007   .001   .000
Al1c .7631 .6809 .7456      .010   .011   .011   .009   .006   .000   .000
Al2a .0846 .7536 .9080      .010   .010   .009   .010   .004  -.001   .000
Al2b .2458 .3301 .5749      .011   .010   .011   .010   .005   .000   .000
Al2c .3704 .1290 .7440      .010   .011   .012   .008   .006   .000  -.001
Al3a .2082 .3054 .9106      .012   .014   .014   .010   .008   .002   .000
Al3b .6702 .9054 .5741      .010   .010   .010   .010   .004   .000   .000
Al3c .9000 .1992 .7366      .010   .009   .009   .011   .004   .002   .001
Al4a .6708 .3424 .9092      .011   .009   .011   .011   .005   .000   .001
Al4b .6874 .3575 .5707      .011   .010   .011   .011   .004  -.001  -.001
Al4c .2970 .6550 .7435      .012   .013   .012   .012   .008  -.003  -.001
Si1a .7561 .6722 .8687      .010   .014   .012   .009   .009   .001   .000
Si1b .6497 .8996 .0344      .011   .013   .009   .010   .005  -.001  -.001
Si1c .0981 .8031 .7077      .010   .009   .009   .010   .004  -.001   .000
Si2a .6691 .3381 .0377      .011   .010   .009   .013   .004  -.001  -.001
Si2b .7044 .3494 .7006      .011   .010   .010   .014   .005   .000  -.001
Si2c .3173 .6453 .8739      .013   .011   .011   .018   .007  -.001   .001
Si3a .0836 .7548 .0342      .011   .009   .011   .011   .005  -.001   .000
Si3b .2349 .3209 .6990      .010   .011   .011   .010   .007   .000   .000
Si3c .3337 .0967 .8691      .010   .013   .009   .009   .006  -.001   .000
Si4a .8853 .2266 .8617      .010   .008   .009   .009   .002   .000   .000
Si4b .7915 .6932 .5333      .010   .012   .012   .008   .007  -.001   .000
Si4c .6318 .8752 .7000      .010   .011   .010   .010   .005  -.001   .000
O1a  .6450 .4956 .8904      .020   .018   .017   .029   .012   .005   .007
O1b  .4706 .8168 .0524      .023   .017   .014   .033   .005   .008   .004
O1c  .1380 .6819 .7367      .018   .008   .015   .032   .005   .001   .003
O2a  .0509 .2701 .5761      .020   .010   .028   .019   .007   .000   .005
O2b  .3264 .2780 .7433      .016   .022   .020   .013   .015  -.003  -.003
O2c  .2198 .9464 .9038      .024   .019   .016   .026   .001   .000   .000
O3a  .9333 .7126 .8648      .017   .017   .023   .013   .012  -.002  -.001
O3b  .7122 .7785 .0315      .020   .032   .023   .013   .021   .002   .004
O3c  .2431 .9746 .7039      .015   .012   .010   .019   .002  -.003   .001
O4a  .6978 .6869 .8096      .016   .017   .025   .010   .014  -.001  -.001
O4b  .6666 .9723 .9750      .019   .034   .020   .012   .019   .000  -.001
O4c  .0408 .7450 .6471      .018   .015   .020   .010   .001   .001   .000
O5a  .9613 .2582 .8025      .018   .015   .019   .012   .001   .000  -.004
O5b  .2391 .2594 .9741      .021   .030   .035   .010   .025  -.004  -.003
O5c  .6541 .9480 .6406      .019   .033   .024   .008   .020   .004   .000
O6a  .7409 .7882 .9107      .022   .040   .033   .012   .032  -.007  -.005
O6b  .2511 .9696 .5780      .019   .022   .014   .013   .002   .000   .001
O6c  .9604 .8118 .7393      .013   .008   .010   .018   .002   .000  -.001
O7a  .3305 .5029 .9002      .019   .008   .014   .033   .004   .002   .007
O7b  .5086 .1771 .0441      .020   .015   .016   .029   .008   .009  -.001
O7c  .8535 .3275 .7062      .020   .016   .017   .030   .009   .006   .011
O8a  .7786 .0673 .5367      .016   .019   .010   .016   .004   .002   .002
O8b  .0515 .1949 .7026      .018   .014   .026   .015   .011   .003  -.005
O8c  .2563 .2063 .8644      .019   .029   .022   .011   .017   .000  -.001
O9a  .0172 .7179 .9739      .023   .017   .024   .012  -.001   .004   .002
O9b  .2993 .3136 .6399      .016   .014   .022   .011   .009   .000   .001
O9c  .3568 .0564 .8086      .023   .047   .028   .011   .032  -.002   .000
O10a .8565 .3644 .5501      .025   .013   .017   .044   .007   .003  -.001
O10b .2581 .4912 .7077      .022   .029   .015   .024   .014   .001  -.003
O10c .4973 .1766 .8995      .019   .013   .014   .022   .001  -.001   .004
O11a .8204 .3437 .8732      .019   .016   .016   .024   .009   .004   .003
O11b .6726 .5094 .5425      .018   .023   .014   .019   .011  -.004  -.002
O11c .4593 .8218 .7204      .020   .010   .012   .034   .003   .001  -.003
O12a .4626 .8076 .8920      .028   .011   .018   .051   .005  -.001  -.004
O12b .8060 .3423 .0743      .017   .018   .016   .022   .012  -.006  -.005
O12c .7285 .4934 .7375      .022   .023   .011   .028   .006  -.002  -.001
O13a .7442 .0508 .8650      .018   .022   .010   .014   .003   .001   .000
O13b .9654 .7277 .5363      .019   .017   .026   .016   .011  -.002  -.003
O13c .6646 .7301 .6990      .013   .016   .016   .009   .009  -.005  -.002
O14a .7232 .3582 .9759      .022   .021   .023   .013   .005  -.001   .000
O14b .6861 .3854 .6399      .029   .040   .039   .016   .025  -.005  -.001
O14c .3231 .6273 .8106      .034   .046   .063   .006   .036  -.006  -.002
O15a .0144 .2527 .9060      .016   .009   .024   .012   .006  -.002   .001
O15b .7580 .7915 .5780      .016   .025   .021   .011   .019  -.002  -.001
O15c .7510 .0075 .7403      .014   .016   .010   .011   .003   .001   .000
O16a .1571 .6340 .8917      .024   .013   .012   .047   .006   .005  -.002
O16b .3588 .5200 .5557      .021   .013   .016   .032   .008   .004   .005
O16c .5536 .1915 .7193      .020   .011   .011   .036   .005   .005  -.003
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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