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Ba16 Cu13 N15 |
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Niewa R, DiSalvo F |
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Journal of Alloys and Compounds 279 (1998) 153-160 |
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Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4) |
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and Ca4Ba(CuN2)2 |
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_cod_database_code 1005051 |
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_database_code_amcsd 0012819 |
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9.5611 7.2731 13.5225 90 93.115 90 P2_1/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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Ba1 .0967 .4785 .2138 .015 .027 .156 -.0080 -.021 .054 |
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Ba2 .2490 .0214 .1684 .023 .004 .018 .0007 .0054 -.0003 |
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Ba3 .4107 .3124 .4122 .016 .008 .011 .0004 -.0052 .0024 |
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Ba4 .7677 .3380 .0447 .020 .063 .014 -.007 -.0063 -.012 |
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N1 .029 .218 .079 .5 |
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N2 .152 .141 .335 |
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N3 .332 .648 .144 |
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N4 .497 .186 .101 |
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Cu1 .4218 .4167 .1284 .018 .005 .019 .001 -.004 -.003 |
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Cu2 .5849 .1686 .2285 .017 .007 .010 .000 -.006 .000 |
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Cu3 .0770 .324 .4265 .5 .015 .035 .021 -.003 -.004 -.015 |
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Cu4 .0869 .1972 .4570 .5 .018 .012 .018 .002 -.002 -.004 |
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Cu5 0 0 0 .5 .028 .017 .018 -.007 -.006 .004 |
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N5 0 0 0 .5 .028 .017 .018 -.007 -.006 .004 |
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