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