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Ca.721Nd.494Zr.772Ti1.997O7 |
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Coelho A A, Cheary R W, Smith K L |
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Journal of Solid State Chemistry 129 (1997) 346-359 |
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Analysis and structural determination of Nd-substituted zirconolite-4M |
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Locality: synthetic |
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_database_code_amcsd 0013921 |
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12.522 7.222 22.987 90 84.791 90 C2/c |
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atom x y z occ |
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CaP1 0 .1246 .25 .41 |
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NdP1 0 .1246 .25 .09 |
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CaP2 .7529 .8734 .2508 .69 |
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NdP2 .7529 .8734 .2508 .30 |
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ZrP 0 .6287 .25 .26 |
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TiP 0 .6287 .25 .24 |
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NdZ .8751 .3777 .4931 .61 |
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CaZ .8751 .3777 .4931 .38 |
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Zr .8738 .8765 .4989 .92 |
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Ti .8738 .8765 .4989 .08 |
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Ti11 .0640 .8842 .3786 .82 |
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Zr11 .0640 .8842 .3786 .18 |
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Ti12 .7838 .1359 .3797 .40 |
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Zr12 .7838 .1359 .3797 .10 |
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Ti11a .4390 .1158 .6286 .82 |
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Zr11a .4390 .1158 .6286 .18 |
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Ti12a .1588 .8641 .6297 .40 |
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Zr12a .1588 .8641 .6297 .10 |
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Ti3 .8032 .6244 .3764 |
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O11 .0083 .1210 .3625 |
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O12 .8040 .1126 .4539 |
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O13 .0619 .9067 .4596 |
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O14 .9059 .4240 .3934 |
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O15 .0639 .8350 .2901 |
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O16 .7592 .6164 .4587 |
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O17 .9095 .8180 .3890 |
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O11a .3833 .8790 .6125 |
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O12a .1790 .8874 .7039 |
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O13a .4369 .0933 .7096 |
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O14a .2809 .5760 .6434 |
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O15a .4389 .1650 .5401 |
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O16a .1342 .3836 .7087 |
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O17a .2845 .1820 .6390 |
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