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Ba2 Cu3 O6.04 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001431 |
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_database_code_amcsd 0011983 |
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3.8519 3.8519 11.8037 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1952 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3605 |
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O1 0 0 .1518 |
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O2 0 .5 .3794 |
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O3 0 .5 0 .02 |
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Ba2 Cu3 O7.34 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001432 |
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_database_code_amcsd 0011984 |
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3.8657 3.8657 11.6015 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1886 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3559 |
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O1 0 0 .1567 |
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O2 0 .5 .3759 |
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O3 0 .5 0 .63 |
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O4 0 0 .5 .08 |
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Ba1.5 Cu3 La1.5 O7.36 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001433 |
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_database_code_amcsd 0011985 |
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3.9024 3.9024 11.6908 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1814 .75 |
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La1 .5 .5 .1814 .25 |
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La2 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3465 |
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O1 0 0 .1562 |
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O2 0 .5 .3657 |
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O3 0 .5 0 .64 |
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O4 0 0 .5 .08 |
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Ba2 Cu3 Nd O6.85 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001434 |
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_database_code_amcsd 0011986 |
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3.8687 9.9150 11.7477 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1846 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3505 |
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O1 0 0 .1559 |
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O2 0 .5 .3721 |
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O3 .5 0 .3715 |
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O4 0 .5 0 .71 |
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O5 .5 0 0 .14 |
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Ba2 Cu3 O6.92 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001435 |
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_database_code_amcsd 0011987 |
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3.8179 3.8801 11.6655 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1847 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3556 |
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O1 0 0 .1586 |
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O2 0 .5 .3784 |
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O3 .5 0 .3782 |
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O4 0 .5 0 .87 |
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O5 .5 0 0 .05 |
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Ba2 Cu3 Er O6.99 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001436 |
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_database_code_amcsd 0011988 |
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3.8123 3.8756 11.6576 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1838 |
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Er1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3563 |
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O1 0 0 .1596 |
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O2 0 .5 .3790 |
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O3 .5 0 .3791 |
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O4 0 .5 0 .89 |
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O5 .5 0 0 .10 |
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Mo2 O12 Y5 |
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Torardi C, Fecketter C, McCarroll W, DiSalvo F |
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Journal of Solid State Chemistry 60 (1985) 332-342 |
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Structure and properties of Y5Mo2O12 and Gd5Mo2O12: Valence |
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oxides with structurally equivalent molybdenum atoms |
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_cod_database_code 1005000 |
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_database_code_amcsd 0013566 |
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12.2376 5.7177 7.4835 90 108.034 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mo1 0 .7183 0 .21 .43 .20 0 -.02 0 |
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Y1 .19364 0 .36027 .25 .37 .20 0 -.07 0 |
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Y2 .81488 0 .17640 .23 .42 .34 0 .03 0 |
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Y3 0 .5 .5 .28 .64 .18 0 -.02 0 |
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O1 .6630 .2544 .0818 .21 .71 .49 .03 .06 -.02 |
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O2 .8454 .7513 .4245 .5 .4 .4 .1 .0 .1 |
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O3 .5002 0 .7971 .7 .8 .3 0 .2 0 |
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O4 .0006 0 .1816 .3 .6 .2 0 .1 0 |
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Mo2 O12 Y5 |
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Torardi C, Fecketter C, McCarroll W, DiSalvo F |
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Journal of Solid State Chemistry 60 (1985) 332-342 |
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Structure and Properties of Y5Mo2O12 and Gd5Mo2O12: Mixed |
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Valence Oxides with Structurally Equivalent Molybdenum Atoms |
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_cod_database_code 1005059 |
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_database_code_amcsd 0013567 |
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12.2376 5.7177 7.4835 90 108.034 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mo1 0 .7183 0 .21 .43 .20 0 -.02 0 |
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Y1 .19364 0 .36027 .25 .37 .20 0 -.07 0 |
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Y2 .81488 0 .17640 .23 .42 .34 0 .03 0 |
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Y3 0 .5 .5 .28 .64 .18 0 -.02 0 |
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O1 .6630 .2544 .0818 .21 .71 .49 .03 .06 -.02 |
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O2 .8454 .7513 .4245 .5 .4 .4 .1 .0 .1 |
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O3 .5002 0 .7971 .7 .8 .3 0 .2 0 |
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O4 .0006 0 .1816 .3 .6 .2 0 .1 0 |
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KIn(OH)PO4 |
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Hriljac J A, Grey C P, Cheetham A K, VerNooy P D, Torardi C C |
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Journal of Solid State Chemistry 123 (1996) 243-248 |
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Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra |
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_database_code_amcsd 0013888 |
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9.277 9.339 11.245 90 90 90 P2_12_12_1 |
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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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K1 .0196 .4687 .0984 .078 .022 .023 .023 -.014 -.006 |
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K2 -.2584 .1378 .1649 .026 .058 .043 .024 .003 .006 |
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In1 .14813 .10651 .12268 .0069 .0064 .0089 -.0009 -.0007 -.0002 |
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In2 .39842 .15400 .37663 .0077 .0066 .0084 .0003 -.0007 .0005 |
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P1 -.0669 .1599 -.1222 .0070 .0073 .0093 .0007 .000 .000 |
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P2 .0795 .3124 .3692 .0082 .0067 .0092 .0003 .002 .000 |
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O1 .0299 .2064 -.0176 .020 .017 .008 -.003 -.006 .000 |
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O2 .499 .2729 .2362 .012 .015 .021 .002 -.002 .008 |
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O3 .5713 .0030 .3657 .012 .012 .016 -.001 -.002 .005 |
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O4 .2444 .3218 .3806 .010 .012 .020 .002 .003 -.003 |
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Oh5 .2885 .0194 .2531 .016 .010 .019 .000 -.004 -.008 |
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Oh6 .2416 -.0386 .0007 .008 .010 .021 .002 -.001 .000 |
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O7 .511 .255 .5195 .016 .010 .013 .000 -.007 -.001 |
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O8 .0351 .2188 .2615 .012 .012 .021 .000 .004 -.011 |
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O9 -.0266 -.0339 .1536 .009 .009 .018 -.007 .003 -.003 |
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O10 .2799 .2908 .0962 .011 .011 .021 -.004 -.004 .004 |
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H .31 -.07 .24 |
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