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Megawite |
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Vegas A, Vallet-Regi M, Gonzalez-Calbet J M, Alario-Franco M A |
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Acta Crystallographica B42 (1986) 167-172 |
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The ASnO3 (A = Ca, Sr) perovskites |
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Locality: synthetic |
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_database_code_amcsd 0018625 |
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5.532 5.681 7.906 90 90 90 Pbnm |
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atom x y z Uiso |
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Ca -.0131 .0509 .25 .0075 |
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Sn 0 .5 0 .0035 |
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O1 .0994 .4615 .25 .0070 |
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O2 .6992 .2981 .0514 .0070 |
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SrSnO3 |
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Vegas A, Vallet-Regi M, Gonzalez-Calbet J M, Alario-Franco M A |
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Acta Crystallographica B42 (1986) 167-172 |
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The ASnO3 (A = Ca, Sr) perovskites |
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Locality: synthetic |
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_database_code_amcsd 0018626 |
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5.707 5.707 8.064 90 90 90 Pbnm |
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atom x y z |
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Sr -.0009 .0124 .25 |
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Sn 0 .5 0 |
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O1 .0736 .4896 .25 |
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O2 .7132 .2853 .0368 |
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Bi4 Cu5 O19.06 Sr7.86 |
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Caldes M, Navarro J, Perez F, Carrera M, Fontcuberta J, Casan-Pastor N, |
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Miravitlles C, Obradors X, Rodriguez-Carjaval J |
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Gonzalez-Calbet J, Vallet-Regi M, Garcia A, Fuertes A |
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Chemistry of Materials 3 (1991) 844-852 |
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Electron microscopy, neutron diffraction and physical properties |
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of Bi4Sr8Cu5O19+y |
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_cod_database_code 1006049 |
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_database_code_amcsd 0012198 |
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5.3671 33.9719 24.0722 90 90 90 Fmmm |
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atom x y z occ |
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Bi1 0 .2883 .1889 |
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Bi2 0 .1343 .1909 |
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Sr1 0 .2112 .0741 |
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Sr2 0 .0573 .0855 .930 |
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Sr3 0 .3652 .0783 |
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Sr4 0 .4455 .1961 |
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Cu1 0 .4422 0 |
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Cu2 0 .1339 0 |
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Cu3 0 .2901 0 |
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Cu4 0 .5 .0833 |
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Cu5 0 0 .1947 |
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O1 0 .1351 .1047 |
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O2 .5 .2093 .1026 |
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O3 0 .0740 .1963 |
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O4 .5 .0562 .0813 .842 |
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O5 .3825 .2753 .1835 .5 |
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O6 .4018 .1329 .1845 .5 |
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O7 .235 .0932 0 .620 |
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O8 .2541 .1711 0 |
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O9 .25 .25 0 |
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O10 .2394 0 .1392 .796 |
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O11 .25 0 .25 |
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O12 .3575 0 0 .544 |
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Ba Co4.1 Fe3.84 O19 Ti4.06 |
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Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M |
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Journal of Solid State Chemistry 111 (1994) 229-237 |
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The solid solution BaFe12-2xCoxTixO19 (0 |
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distribution by neutron diffraction |
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_cod_database_code 1006065 |
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_database_code_amcsd 0013810 |
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5.9062 5.9062 23.342 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 2/3 1/3 .25 |
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Fe1 0 0 0 .48 |
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Ti1 0 0 0 .52 |
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Fe2 1/3 2/3 .0250 .16 |
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Co1 1/3 2/3 .0250 .84 |
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Fe3 1/3 2/3 .189 .24 |
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Co2 1/3 2/3 .189 .10 |
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Ti2 1/3 2/3 .189 .66 |
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Fe4 0 0 .2607 .23 |
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Co3 0 0 .2607 .27 |
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Fe5 1/6 .334 .8942 .35 |
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Co4 1/6 .334 .8942 .28 |
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Ti3 1/6 .334 .8942 .37 |
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O1 0 0 .1512 |
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O2 1/3 2/3 -.0581 |
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O3 .1870 .3740 .25 |
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O4 .1517 .3034 .0529 |
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O5 .5 0 .1507 |
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| Download AMC data (View Text File)
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Ba Co6.01 O19 Ti5.99 |
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Cabanas M, Gonzalez-Calbet J, Rodriguez-Carvajal J, Vallet-Regi M |
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Journal of Solid State Chemistry 111 (1994) 229-237 |
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The solid solution BaFe12-2xCoxTixO19 (0 |
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distribution by neutron diffraction |
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_cod_database_code 1006066 |
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_database_code_amcsd 0013811 |
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5.9174 5.9174 23.368 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 2/3 1/3 .25 |
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Co1 0 0 0 .17 |
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Ti1 0 0 0 .83 |
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Co2 1/3 2/3 .0251 |
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Co3 1/3 2/3 .1912 .17 |
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Ti2 1/3 2/3 .1912 .83 |
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Co4 0 0 .2540 .40 |
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Ti3 0 0 .2540 .10 |
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Co5 .173 .346 .8918 .450 |
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Ti4 .173 .346 .8918 .550 |
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O1 0 0 .1508 |
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O2 1/3 2/3 -.0581 |
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O3 .1873 .3746 .25 |
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O4 .1498 .2996 .0524 |
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O5 .5 0 .1506 |
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| Download AMC data (View Text File)
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Ba Fe16.27 O27 Zn1.73 |
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Collomb A, Vallet-Regi M |
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Materials Research Bulletin 22 (1987) 753-760 |
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Le zinc dans le ferrite hexagonal de type W: Ba Zn2 Fe16 O27 |
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_cod_database_code 1008955 |
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_database_code_amcsd 0016821 |
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5.9333 5.9333 33.116 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 0 0 .25 |
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Fe1 1/3 2/3 -.2434 .5 |
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Fe2 1/3 2/3 -.4249 |
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Fe3 .5 0 0 |
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Fe4 0 0 .0571 .34 |
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Zn1 0 0 .0571 .66 |
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Fe5 1/3 2/3 .0930 .79 |
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Zn2 1/3 2/3 .0930 .21 |
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Fe6 1/3 2/3 .2077 |
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Fe7 -.1644 -.3288 .1500 |
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O1 0 0 .1124 |
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O2 1/3 2/3 .0363 |
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O3 1/3 2/3 -.3206 |
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O4 .4833 .9666 .25 |
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O5 .5126 .0252 .1098 |
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O6 -.1806 -.3612 .0352 |
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O7 .1637 .3274 .1789 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bi4 Cu5 O20.5 Sr8 |
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Fuertes A, Miravitilles C, Gonzales-Calbet J, Vallet-Regi M, Obradors X, Rodriguez-Carvajal J |
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Physica C 157 (1989) 525-530 |
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The tubular crystal structure of the new phase Bi4Sr8Cu5O19+x related |
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to the supercoducting perovskites |
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_cod_database_code 1006012 |
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_database_code_amcsd 0015014 |
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5.373 33.907 23.966 90 90 90 Fmmm |
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atom x y z occ |
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Bi1 0 .2884 .1891 |
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Bi2 0 .1345 .1915 |
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Sr1 0 .2115 .0744 |
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Sr2 0 .0563 .0841 |
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Sr3 0 .3655 .0777 |
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Sr4 0 .4461 .1950 |
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Cu1 0 .4448 0 |
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Cu2 0 .1323 0 |
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Cu3 0 .2897 0 |
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Cu4 0 .5 .0824 |
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Cu5 0 0 .1943 |
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O1 0 .1334 .1047 |
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O2 .5 .210 .1047 |
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O3 0 .073 .195 |
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O4 .5 .057 .082 |
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O5 .380 .275 .178 .5 |
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O6 .417 .135 .185 .5 |
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O7 .244 .091 0 |
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O8 .244 .1704 0 |
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O9 .25 .25 0 |
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O10 .244 0 .137 |
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O11 .25 0 .25 |
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O12 .35 0 0 .5 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Nd1.8 Ni O3.7 Sr0.2 |
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Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J |
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Physical Review, Serie 3. B - Condensed Matter 49 (1994) 8591-8599 |
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Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- |
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type nickelate with monoclinic symmetry and ordered oxygen vacancies |
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_cod_database_code 1006139 |
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_database_code_amcsd 0015287 |
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5.3473 5.4554 12.275 90 90 90.782 B2/n |
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atom x y z occ |
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Nd1 0 -.009 .3625 .9 |
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Sr1 0 -.009 .3625 .1 |
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Ni1 0 0 0 |
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O1 .25 .25 -.011 .76 |
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O2 .25 .25 .489 .94 |
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O3 0 .054 .1773 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Nd1.8 Ni O3.72 Sr0.2 |
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Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J |
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Physical Review, Serie 3. B - Condensed Matter 49 (1994) 8591-8599 |
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Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- |
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type nickelate with monoclinic symmetry and ordered oxygen vacancies |
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_cod_database_code 1006140 |
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_database_code_amcsd 0015288 |
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5.3578 5.4394 12.250 90 90 90.788 B2/n |
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atom x y z occ |
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Nd1 0 -.008 .3626 .9 |
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Sr1 0 -.008 .3626 .1 |
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Ni1 0 0 0 |
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O1 .25 .25 -.011 .76 |
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O2 .25 .25 .489 .94 |
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O3 0 .053 .1781 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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