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Ba3 Ga2 N4 |
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Yamane H, DiSalvo F |
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Acta Crystallographica C52 (1996) 760-761 |
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Ba3 Ga2 N4 |
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_cod_database_code 1005032 |
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_database_code_amcsd 0010307 |
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6.2010 10.511 10.070 90 90 90 Pnna |
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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 .11102 .34415 .91335 .0068 .0102 .0104 -.00213 .00064 -.00179 |
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Ba2 .25 0 .90519 .0100 .0145 .0090 .0037 0 0 |
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Ga1 .25 0 .22957 .0049 .0063 .0064 -.0010 0 0 |
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Ga2 .1636 .25 .25 .0046 .0055 .0079 0 0 .0000 |
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N1 .3612 .1467 .1281 .011 .006 .011 .001 .002 -.003 |
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N2 .0176 .0955 .3294 .011 .008 .011 -.004 .004 -.003 |
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GaGd3O6 |
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Yamane H, Sakamoto T, Kubota S, Shimada M |
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Acta Crystallographica C55 (1999) 479-481 |
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Gd3GaO6 by X-ray powder diffraction |
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_cod_database_code 1000024 |
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_database_code_amcsd 0010318 |
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8.9928 11.2809 5.48116 90 90 90 Cmc2_1 |
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atom x y z Uiso |
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Gd1 .19320 .10615 .44679 .0008 |
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Gd2 0 .3958 .4029 .0008 |
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Ga 0 .1947 0 .0003 |
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O1 .155 .2512 .183 .004 |
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O2 .338 .013 .219 .004 |
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O3 0 .049 .167 .004 |
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O4 0 .202 .661 .004 |
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Sr3Al10SiO20 |
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Kubota S, Yamane H, Shimada M |
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Acta Crystallographica E57 (2001) i60-i61 |
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A powder diffraction study of Sr3Al10SiO20 |
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_database_code_amcsd 0010358 |
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15.1416 11.1843 4.90256 90 108.117 90 C2/m |
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atom x y z occ Uiso |
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Sr1 .21680 0 .7386 .0168 |
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Sr2 0 .5 0 .0127 |
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Al1 .1347 .2119 .1632 .875 .0037 |
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Si1 .1347 .2119 .1632 .125 .0037 |
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Al2 .3549 .1381 .3471 .875 .0089 |
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Si2 .3549 .1381 .3471 .125 .0089 |
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Al3 0 .1280 .5 .0077 |
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Al4 0 0 0 .013 |
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O1 .0855 .2463 .4289 .0056 |
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O2 .2398 .1419 .3237 .0056 |
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O3 .3604 .1510 .0032 .0056 |
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O4 .4279 .3808 .1046 .0056 |
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O5 .0658 0 .3853 .0056 |
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O6 .4013 0 .4756 .0056 |
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Ba5Si2N6 |
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Yamane H, DiSalvo F |
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Journal of Alloys and Compounds 240 (1996) 33-36 |
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Preparation and crystal structure of a new barium silicon nitride, Ba5Si2N6 |
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_cod_database_code 1005021 |
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_database_code_amcsd 0012780 |
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6.159 10.305 15.292 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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N1 .0461 .5735 .1487 |
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Ba1 .0771 .7988 .4340 .008 .011 .009 .000 .001 -.002 |
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Ba2 .0932 .1368 .5105 .018 .018 .014 .005 .002 .000 |
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N2 .1473 .0563 .0635 |
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N3 .1547 .2363 .2107 |
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Ba3 .1606 .4633 .3187 .012 .009 .011 .001 .001 .000 |
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Si1 .1939 .1361 .3067 .007 .007 .006 -.001 .001 .001 |
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Si2 .3098 .1193 .1466 .007 .008 .007 -.002 .000 -.002 |
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N4 .3540 .2133 .3862 |
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N5 .3564 .0198 .2444 |
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Ba4 .4239 .4700 .0974 .009 .013 .013 .001 .000 -.004 |
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N6 .5565 .1803 .105 |
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Ba5 .6741 .2584 .2697 .012 .011 .010 .001 .001 .000 |
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Ba3 Ge2 N2 |
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Yamane H, DiSalvo F |
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Journal of Alloys and Compounds 241 (1996) 69-74 |
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A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) |
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and (Ge N2)(4-) anions |
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_cod_database_code 1005031 |
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_database_code_amcsd 0012781 |
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9.6196 4.0466 10.1337 90 113.553 90 P2_1/m |
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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 .0287 .25 .1739 .009 .011 .010 0 .003 0 |
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N1 .0715 .25 .6764 .021 .011 .011 0 .009 0 |
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N2 .183 .25 .0003 .011 .013 .008 0 .004 0 |
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Ge1 .2468 .25 .8472 .007 .015 .007 0 .001 0 |
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Ge2 .4218 .25 .4455 .011 .010 .013 0 .002 0 |
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Ba2 .6143 .25 .8558 .009 .012 .010 0 .001 0 |
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Ba3 .8123 .25 .4416 .008 .011 .009 0 .002 0 |
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Cu N Sr |
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DiSalvo F, Trail S, Yamane H, Brese N |
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Journal of Alloys and Compounds 255 (1997) 122-129 |
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The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) |
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anions and the single crystal structural determination of Sr Cu N |
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_cod_database_code 1005038 |
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_database_code_amcsd 0012786 |
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9.045 13.234 5.388 90 90 90 Pnma |
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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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Cu1 .1796 .1564 .5129 .007 .004 .004 -.001 .002 .002 |
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Sr1 .3403 .0866 .0157 .004 .005 .005 .001 -.002 -.001 |
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N1 .0871 .0799 .7566 .007 .009 .010 .002 .007 .007 |
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Sr2 .0226 .25 .0020 .002 .005 .004 0 .001 0 |
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N2 .2576 .25 .2844 .005 .002 .004 0 .003 0 |
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Cu2 0 0 0 .007 .008 .005 -.003 .001 .001 |
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Cu3 N5 Sr6 |
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DiSalvo F, Trail S, Yamane H, Brese N |
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Journal of Alloys and Compounds 255 (1997) 122-129 |
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The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) |
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anions and the single crystal structural determination of Sr Cu N |
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_cod_database_code 1005039 |
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_database_code_amcsd 0012787 |
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8.6570 8.6570 7.334 90 90 90 P4_2mc |
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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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Sr1 .2664 .3033 .2087 .008 .006 .014 -.001 .002 -.001 |
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Sr2 0 .5 .5198 .003 .010 .020 0 0 0 |
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Sr3 0 0 -.0011 .004 .006 .012 0 0 0 |
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Cu1 .3586 0 .4347 .007 .007 .017 0 .000 0 |
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Cu2 .5 .5 .4731 .003 .005 .016 0 0 0 |
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N1 .2850 .5 .4851 .016 .006 .021 0 .004 0 |
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N2 .2178 0 .2429 .009 .011 .021 0 -.006 0 |
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N3 0 .5 .1383 .010 .006 .027 0 0 0 |
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N2 Sr2 Zn |
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Yamane H, DiSalvo F |
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Journal of Solid State Chemistry 119 (1995) 375-379 |
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Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2 |
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_cod_database_code 1005019 |
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_database_code_amcsd 0013874 |
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3.8568 3.8568 12.935 90 90 90 I4/mmm |
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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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Sr1 0 0 .3409 .007 .007 .008 0 0 0 |
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Zn1 0 0 0 .010 .010 .006 0 0 0 |
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N1 0 0 .1449 .010 .016 .002 0 0 0 |
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Ba2 N2 Zn |
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Yamane H, DiSalvo F |
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Journal of Solid State Chemistry 119 (1995) 375-379 |
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Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2 |
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_cod_database_code 1005020 |
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_database_code_amcsd 0013875 |
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4.152 4.152 13.055 90 90 90 I4/mmm |
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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 0 0 .3443 .012 .012 .005 0 0 0 |
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Zn1 0 0 0 .012 .012 .003 0 0 0 |
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N1 0 0 .1411 .016 .016 .017 0 0 0 |
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|
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