American Mineralogist Crystal Structure Database

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Lueshite
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von der Muhll R, Sadel A, Hagenmuller P
Journal of Solid State Chemistry 51 (1984) 176-182
Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98NbO3
Note: x(O3) corrected to match reported bond lengths
Note: this is a polymorph of lueshite
Locality: synthetic
_database_code_amcsd 0013521
5.494 15.461 5.551 90 90 90 Pc2_1b
atom      x      y      z occ  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)  B(2,3)
Li1   .2438  .1204  .7149 .02 .000166 .001339 .001866 .003620  .001885 .002971
Na1   .2438  .1204  .7149 .98 .008117 .001339 .001866 .003620  .001885 .002971
Li2   .2415  .3728  .7732 .02 .000166 .000837 .001947 .001648        0       0
Na2   .2415  .3728  .7732 .98 .008117 .000837 .001947 .001648        0       0
Nb1   .2565      0  .2232     .001988 .000397 .000325 .000206 -.000738       0
Nb2   .2540  .2502  .2292     .003976 .000314 .002840       0  .001967       0
O1     .459  .0054  .5506     .009111 .003660 .000811 .001472        0 .001748
O2    .0327 -.0132 -.0186     .013252 .003347 .006491 .000441  .009017       0
O3   -.0371  .2645  .0358     .001657 .000418 .000811       0        0 .000291
O4    .5364  .2299  .4603     .000828 .000105 .000811       0 -.000164       0
O5    .3124 -.1273  .2738     .006626 .000418 .000811       0        0 .000291
O6    .1871  .1229  .2649     .008283 .000209 .004868       0        0       0
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