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Vysotskite |
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Brese N E, Squattrito P J, Ibers J A |
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Acta Crystallographica C41 (1985) 1829-1830 |
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Reinvestigation of the structure of PdS |
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Locality: synthetic |
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_database_code_amcsd 0010019 |
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6.429 6.429 6.611 90 90 90 P4_2/m |
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atom x y z Biso |
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Pd1 0 0 .25 .35 |
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Pd2 .5 0 0 .33 |
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Pd3 .257132 .467792 0 .33 |
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S .30754 .19361 .22904 .37 |
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N5 Ta3 |
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Brese N, O'Keefe M, Rauch P, DiSalvo F |
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Acta Crystallographica C47 (1991) 2291-2294 |
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Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction |
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_cod_database_code 1005006 |
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_database_code_amcsd 0010266 |
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3.8862 10.2118 10.2624 90 90 90 Cmcm |
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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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Ta1 0 .1971 .25 .0048 .0083 .0037 0 0 0 |
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Ta2 0 .13455 .55906 .0037 .0075 .0069 0 .01 0 |
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N1 0 .76322 .25 .0080 .0086 .0088 0 0 0 |
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N2 0 .04701 .11949 .0136 .0081 .0083 0 -.0008 0 |
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N3 0 .30862 .07378 .0070 .0083 .0095 0 .0012 0 |
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Ce3 Cl6 N |
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Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F |
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Journal of Alloys and Compounds 206 (1994) 95-101 |
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New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl |
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_cod_database_code 1005025 |
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_database_code_amcsd 0012764 |
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10.708 11.233 16.52699 90 90 90 Pbca |
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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 .1409 .0219 .4367 .010 .018 .013 .000 .001 -.001 |
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Ce2 .3394 -.0352 .1773 .013 .023 .012 -.001 .001 -.002 |
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Ce3 .0132 .2105 .0484 .012 .017 .018 -.001 .000 .001 |
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Cl1 .2519 .7834 .4544 .016 .020 .030 .001 -.005 .000 |
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Cl2 .3711 .0608 .3399 .018 .039 .016 -.007 .003 -.007 |
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Cl3 .1034 -.0805 .2722 .017 .033 .018 -.001 .003 -.004 |
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Cl4 .6418 -.0309 .4471 .013 .021 .019 .001 -.001 .000 |
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Cl5 .1691 .2105 .1878 .023 .026 .024 .000 -.005 .003 |
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Cl6 .5311 .6882 .3758 .023 .024 .024 -.004 .005 .002 |
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N1 .4481 -.0929 .0612 .011 .018 .013 -.002 .003 -.001 |
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Ce3 Cl6 N |
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Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F |
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Journal of Alloys and Compounds 235 (1996) 133-134 |
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Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl" |
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_cod_database_code 1005022 |
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_database_code_amcsd 0012774 |
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10.708 11.233 16.52699 90 90 90 Pbca |
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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 .1409 .0219 .4367 .010 .018 .013 .000 .001 -.001 |
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Ce2 .3394 -.0352 .1773 .013 .023 .012 -.001 .001 -.002 |
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Ce3 .0132 .2105 .0484 .012 .017 .018 -.001 .000 .001 |
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Cl1 .2519 .7834 .4544 .016 .020 .030 .001 -.005 .000 |
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Cl2 .3711 .0608 .3399 .018 .039 .016 -.007 .003 -.007 |
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Cl3 .1034 -.0805 .2722 .017 .033 .018 -.001 .003 -.004 |
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Cl4 .6418 -.0309 .4471 .013 .021 .019 .001 -.001 .000 |
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Cl5 .1691 .2105 .1878 .023 .026 .024 .000 -.005 .003 |
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Cl6 .5311 .6882 .3758 .023 .024 .024 -.004 .005 .002 |
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N1 .4481 -.0929 .0612 .011 .018 .013 -.002 .003 -.001 |
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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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Ba Co S2 |
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Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R |
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Journal of Solid State Chemistry 127 (1996) 211-221 |
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Polymorphism and superstructure in Ba Co S2-d |
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_cod_database_code 1005029 |
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_database_code_amcsd 0013910 |
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4.568 4.568 8.942 90 90 90 *P4/nmm |
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.25 -.25 0 |
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atom x y z |
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Ba1 .25 .25 .6975 |
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Co1 .25 .25 .0933 |
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S1 .25 .25 .3488 |
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S2 .75 .25 0 |
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Ba Co S1.84 |
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Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R |
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Journal of Solid State Chemistry 127 (1996) 211-221 |
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Polymorphism and superstructure in Ba Co S2-d |
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_cod_database_code 1005030 |
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_database_code_amcsd 0013911 |
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6.4390 6.4909 8.9379 90 90 90 Cmma |
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atom x y z occ |
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Ba1 0 .25 .1973 |
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Co1 0 .25 .5895 |
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S1 0 .25 .8433 |
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S2 .25 .5 .5 .84 |
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Ce2 Pd9 Sb3 |
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Gordon R, DiSalvo F, Poettgen R, Brese N |
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Journal of the Chemical Society, Faraday Transactions 92 (1996) 2167-2171 |
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Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3 |
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_cod_database_code 1005044 |
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_database_code_amcsd 0014109 |
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13.769 8.0412 9.3482 90 90 90 Cmcm |
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atom x y z |
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Ce1 .34547 .32828 .25 |
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Pd1 .17109 .17061 .08478 |
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Pd2 0 .3323 .5268 |
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Pd3 0 .1457 .25 |
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Pd4 .09840 .4582 .25 |
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Sb1 0 0 0 |
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Sb2 .32369 0 0 |
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Insizwaite |
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Brese N E, von Schnering H G |
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Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404 |
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Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, |
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PdSb2, PtSb2 and PtBi2 |
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Locality: synthetic |
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_database_code_amcsd 0015804 |
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6.7014 6.7014 6.7014 90 90 90 Pa3 |
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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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Pt 0 0 0 .0114 .0114 .0114 -.0001 -.0001 -.0001 |
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Bi .3710 .3710 .3710 .0128 .0128 .0128 .0015 .0015 .0015 |
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PdAs2 |
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Brese N E, von Schnering H G |
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Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404 |
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Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, |
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PdSb2, PtSb2 and PtBi2 |
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_database_code_amcsd 0015805 |
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5.9790 5.9790 5.9790 90 90 90 Pa3 |
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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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Pd 0 0 0 .0045 .0045 .0045 .0000 .0000 .0000 |
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As .38317 .38317 .38317 .0054 .0054 .0054 .0002 .0002 .0002 |
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PdSb2 |
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Brese N E, von Schnering H G |
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Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404 |
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Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, |
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PdSb2, PtSb2 and PtBi2 |
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_database_code_amcsd 0015806 |
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6.464 6.464 6.464 90 90 90 Pa3 |
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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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Pd 0 0 0 .0065 .0065 .0065 .0004 .0004 .0004 |
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Sb .3733 .3733 .3733 .0090 .0090 .0090 .0005 .0005 .0005 |
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Geversite |
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Brese N E, von Schnering H G |
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Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404 |
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Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, |
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PdSb2, PtSb2 and PtBi2 |
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Locality: synthetic |
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_database_code_amcsd 0015807 |
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6.4423 6.4423 6.4423 90 90 90 Pa3 |
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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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Pt 0 0 0 .0084 .0084 .0084 .0000 .0000 .0000 |
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Sb .3753 .3753 .3753 .0095 .0095 .0095 .0016 .0016 .0016 |
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AgO |
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Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B |
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Journal of Solid State Chemistry 89 (1990) 184-190 |
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Low-temperature structures of CuO and AgO and their |
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relationships to those of MgO and PdO |
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Note: T = 9 K |
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Locality: synthetic |
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_database_code_amcsd 0018807 |
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5.8517 3.4674 5.4838 90 107.663 90 P2_1/c |
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atom x y z Uiso |
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Ag1 0 0 0 .0013 |
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Ag2 1/2 0 1/2 .0017 |
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O .2949 .3470 .2187 .0010 |
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Ag2SO4 |
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Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B |
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Journal of Solid State Chemistry 89 (1990) 184-190 |
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Low-temperature structures of CuO and AgO and their |
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relationships to those of MgO and PdO |
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Note: T = 9 K |
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Locality: synthetic |
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_database_code_amcsd 0018808 |
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5.7960 12.6670 10.2238 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z Uiso |
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Ag 1/8 1/8 .4437 .010 |
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S 1/8 1/8 1/8 -.004 |
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O -.0192 .0571 .2112 .0089 |
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Tenorite |
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Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B |
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Journal of Solid State Chemistry 89 (1990) 184-190 |
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Low-temperature structures of CuO and AgO and their |
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relationships to those of MgO and PdO |
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Note: T = 11 K |
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Locality: synthetic |
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_database_code_amcsd 0018821 |
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4.6833 3.4208 5.1294 90 99.567 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu .25 .25 0 .0027 .0017 .0042 .0027 .0011 .0012 .0002 |
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O 0 .4179 .25 .0034 .0036 .0056 .0017 0 .0016 0 |
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