Lemoynite
Le Page Y, Perrault G
The Canadian Mineralogist 14 (1976) 132-138
Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O
Note: x-coordinate of Na1 changed.
_database_code_amcsd 0005120
10.384 15.947 18.601 90 104.59 90 C2/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zr   .25326 .24187 .24647 .93  .0100  .0100  .0086  .0006  .0029  .0013
Nb   .25326 .24187 .24647 .04  .0100  .0100  .0086  .0006  .0029  .0013
Ti   .25326 .24187 .24647 .03  .0100  .0100  .0086  .0006  .0029  .0013
Si1   .7093  .0967  .1201      .0134  .0063  .0105  .0017  .0037  .0009
Si2   .9462  .2067  .1363      .0119  .0117  .0091 -.0025  .0041 -.0015
Si3   .4500  .2920  .1352      .0129  .0101  .0095  .0004  .0045 -.0008
Si4   .2132  .3977  .1224      .0116  .0079  .0085 -.0006  .0029  .0006
Si5  -.0007  .3037  .0011      .0123  .0102  .0067  .0007  .0030  .0002
Ca        0  .3912    .25 .83  .0156  .0110  .0186      0  .0090      0
Fe        0  .3912    .25 .08  .0156  .0110  .0186      0  .0090      0
Zn        0  .3912    .25 .02  .0156  .0110  .0186      0  .0090      0
Cu        0  .3912    .25 .01  .0156  .0110  .0186      0  .0090      0
Mg        0  .3912    .25 .04  .0156  .0110  .0186      0  .0090      0
Na1    .255  .0887  .0767 .25   .134   .051   .062  -.012   .044  -.007
K1     .255  .0887  .0767 .25   .134   .051   .062  -.012   .044  -.007
Na2   .0917 -.0064  .1967 .25   .055   .027   .138  -.006   .016  -.016
K2    .0917 -.0064  .1967 .25   .055   .027   .138  -.006   .016  -.016
Wat2  .0917 -.0064  .1967  .5   .055   .027   .138  -.006   .016  -.016
O1    .8777  .2657  .1865       .018   .011   .011  -.002   .006  .0010
O2    .6828  .1348  .1949       .019   .019   .015  -.005   .012  -.006
O3    .5981  .3103  .1833       .013   .017   .020  -.001   .002   .000
O4    .3651  .2268  .1723       .017   .011   .017  -.001   .007   .001
O5    .1751  .3574  .1933       .012   .017   .012   .003   .009   .004
O6    .0971  .1801  .1742       .012   .017   .017   .000   .004  -.004
O7    .8596  .1185  .1157       .010   .014   .019  -.002   .006  -.004
O8    .1248  .3584  .0453       .016   .020   .013  -.008   .000  -.002
O9    .9340  .2535  .0567       .029   .021   .009  -.005   .006   .002
O10   .6100  .1328  .0458       .022   .026   .014   .009  -.003   .006
O11   .4515  .2602  .0524       .028   .021   .013   .002   .010  -.007
O12   .3678  .3819  .1235       .014   .012   .018  -.002   .008   .000
O13   .6927 -.0028  .1204       .012   .002   .033   .000   .008   .000
Wat1   .855  .4330  .1339       .128   .043   .057   .013  -.030   .009
Wat2     .5  .0408    .25       .054   .028   .050      0   .037      0
Wat3   .047   .037   .094       .064   .065   .043   .041   .031   .011