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Li0.66 Mn1.34 N |
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Niewa R, DiSalvo F, Yang D, Zax D, Luo H, Yelon W |
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Journal of Alloys and Compounds 266 (1998) 32-38 |
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Synthesis, crystal structure and properties of a lithium manganese |
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nitride, (Li, Mn)2 N |
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_cod_database_code 1005047 |
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_database_code_amcsd 0012807 |
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4.68578 4.68578 2.97762 90 90 90 P4_2/mnm |
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atom x y z occ |
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N1 0 0 0 |
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Mn1 .2989 .2989 0 .67 |
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Li1 .2989 .2989 0 .33 |
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Li0.86 Mn1.14 N |
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Niewa R, DiSalvo F, Yang D, Zax D, Luo H, Yelon W |
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Journal of Alloys and Compounds 266 (1998) 32-38 |
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Synthesis, crystal structure and properties of a lithium manganese |
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nitride, (Li, Mn)2 N |
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_cod_database_code 1005048 |
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_database_code_amcsd 0012808 |
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4.69795 4.69795 2.96053 90 90 90 P4_2/mnm |
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atom x y z occ |
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N1 0 0 0 |
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Mn1 .2971 .2971 0 .571 |
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Li1 .2971 .2971 0 .429 |
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| Download AMC data (View Text File)
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Ba Cu N |
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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 1005050 |
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_database_code_amcsd 0012818 |
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14.462 5.5700 9.478 90 102.960 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .33098 .2637 .37120 .0070 .0110 .0081 .0001 .0042 -.0006 |
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Ba2 0 .2802 .25 .0073 .0105 .0076 0 .0027 0 |
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Cu1 .4266 .2651 .0606 .005 .0104 .012 -.0014 .0051 .0017 |
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Cu2 .25 .25 0 .003 .011 .010 .0007 .0034 .0021 |
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N1 .3416 .039 .109 .008 .011 .018 -.001 .008 .001 |
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N2 0 0 0 .015 .014 .019 .002 .009 -.002 |
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| Download AMC data (View Text File)
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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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| Download AMC data (View Text File)
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Ba Ca4 Cu2 N4 |
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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 1005052 |
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_database_code_amcsd 0012820 |
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8.2366 8.2366 12.5731 90 90 90 *P4/ncc |
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.25 -.25 0 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .25 .25 .15455 .0075 .0075 .0183 0 0 0 |
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Ca1 .0829 .6310 .08758 .0060 .0052 .0062 -.0011 -.0002 .0001 |
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Cu1 .40360 .59640 .25 .0076 .0076 .0040 -.0004 -.0001 -.0001 |
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N1 .5695 .1242 .1039 .004 .009 .006 -.001 -.002 -.001 |
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| Download AMC data (View Text File)
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Ce2 Mn N3 |
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Niewa R, Vajenine G, DiSalvo F, Haihua L, Yelon W |
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Zeitschrift fur Naturforschung, Teil B. Anorganische Chemie, 53 (1998) 63-74 |
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Unusual Bonding in ternary nitrides: Preparation, structure and |
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properties of Ce2 Mn N3 |
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_cod_database_code 1005058 |
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_database_code_amcsd 0015850 |
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3.74994 3.44450 12.4601 90 90 90 Immm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce1 0 0 .35332 .0191 .0256 .0269 0 0 0 |
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Mn1 0 0 0 .022 .027 .034 0 0 0 |
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N1 0 .5 .5 .023 .028 .013 0 0 0 |
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N2 0 0 .1638 .013 .016 .028 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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