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Mg O6 Pb2 W |
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Baldinozzi G, Sciau P, Pinot M, Grebille D |
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Acta Crystallographica B51 (1995) 668-673 |
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Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 |
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_cod_database_code 1001660 |
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_database_code_amcsd 0009887 |
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8.0058 8.0058 8.0058 90 90 90 Fm3m |
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atom x y z occ |
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Pb1 .2729 .2729 .25 .0833 |
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Mg1 .5 .5 .5 |
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W1 0 0 0 |
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O1 .2398 .0229 .004 .125 |
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Mg O6 Pb2 W |
| |
Baldinozzi G, Sciau P, Pinot M, Grebille D |
|
Acta Crystallographica B51 (1995) 668-673 |
|
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 |
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_cod_database_code 1001661 |
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_database_code_amcsd 0009888 |
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7.9440 5.6866 11.4059 90 90 90 Pmcn |
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atom x y z |
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Pb1 .0032 .7804 .1422 |
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Mg1 .25 .7519 .3772 |
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W1 .25 .2577 .1161 |
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O1 .4907 .2365 .1314 |
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O2 .25 .0133 .0027 |
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O3 .25 .4991 .0103 |
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O4 .25 -.0153 .2370 |
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O5 .25 .4745 .2491 |
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Mg O6 Pb2 W |
| |
Baldinozzi G, Sciau P, Pinot M, Grebille D |
|
Acta Crystallographica B51 (1995) 668-673 |
|
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 |
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_cod_database_code 1001662 |
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_database_code_amcsd 0009889 |
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7.9041 5.7035 11.4442 90 90 90 Pmcn |
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atom x y z |
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Pb1 .0062 .7887 .1464 |
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Mg1 .25 .7537 .3780 |
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W1 .25 .2569 .1136 |
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O1 .4910 .2298 .1340 |
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O2 .25 .0135 .0032 |
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O3 .25 .4974 .0097 |
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O4 .25 -.0253 .2359 |
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O5 .25 .4629 .2514 |
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Ba0.85Ca2.15In6O12 |
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Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
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Acta Crystallographica B52 (1996) 780-789 |
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Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
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_cod_database_code 1000428 |
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_database_code_amcsd 0009895 |
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9.8880 9.8880 3.2170 90 90 120 P6_3/m |
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atom x y z occ |
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Ba1 0 0 .160 .215 |
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Ca1 1/3 2/3 .25 |
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In1 .3472 -.0044 .25 |
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O1 .1935 .3048 .25 |
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O2 .5316 .3985 .25 |
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Ba0.85Ca2.15In6O12 |
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Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
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Acta Crystallographica B52 (1996) 780-789 |
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Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
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_cod_database_code 1000429 |
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_database_code_amcsd 0009896 |
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9.8880 9.8880 3.2170 90 90 120 P3 |
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atom x y z occ |
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Ba1 0 0 .705 .35 |
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Ba2 0 0 .222 .17 |
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Ba3 0 0 -.064 .31 |
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Ca1 0 0 -.064 .10 |
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Ca2 1/3 2/3 .267 |
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Ca3 2/3 1/3 .745 |
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In1 .3492 -.0005 .25 |
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In2 .6545 .0068 .747 |
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O1 .1910 .3040 .25 |
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O2 .8052 .6976 .759 |
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O3 .5293 .3970 .248 |
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O4 .4669 .6003 .754 |
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Elpasolite |
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Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
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Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
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Rietveld refinement of the incommensurate structure of the elpasolite |
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(ordered perovskite) Pb2 Mg Te O6 |
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_cod_database_code 1008898 |
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_database_code_amcsd 0016765 |
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7.9976 7.9976 7.9976 90 90 90 Fm3m |
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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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O1 .2608 0 0 .0052 .0220 .0220 0 0 0 |
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Pb1 .25 .25 .25 |
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Te1 .5 .5 .5 |
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Mg1 0 0 0 |
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| Download AMC data (View Text File)
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|
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Elpasolite |
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Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
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Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
|
Rietveld refinement of the incommensurate structure of the elpasolite |
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(ordered perovskite) Pb2 Mg Te O6 |
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_cod_database_code 1008899 |
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_database_code_amcsd 0016766 |
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7.9838 7.9838 7.9838 90 90 90 Fm3m |
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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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O1 .2607 0 0 .0026 .0194 .0194 0 0 0 |
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Pb1 .25 .25 .25 |
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Te1 .5 .5 .5 |
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Mg1 0 0 0 |
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| Download AMC data (View Text File)
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|
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Elpasolite |
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Baldinozzi G, Grebille D, Sciau P, Kiat J, Moret J, Berar J |
| |
Journal of Physics: Condensed Matter 10 (1998) 6461-6472 |
|
Rietveld refinement of the incommensurate structure of the elpasolite |
|
(ordered perovskite) Pb2 Mg Te O6 |
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_cod_database_code 1008900 |
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_database_code_amcsd 0016767 |
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5.6447 5.6447 5.6447 59.923 59.923 59.923 R-3 |
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atom x y z occ |
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O1 .2408 .7384 .7559 |
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Pb1 .248 .224 .274 .3333 |
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Te1 .5 .5 .5 |
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Mg1 0 0 0 |
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| Download AMC data (View Text File)
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IMA2010-039 |
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Baldinozzi G, Berar J, Calvarin G |
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Materials Science Forum 278 (1998) 680-685 |
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Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009013 |
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_database_code_amcsd 0016875 |
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10.6056 10.6056 10.6056 90 90 90 Ia3 |
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atom x y z |
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Y1 .96742 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39072 .15190 .38016 |
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| Download AMC data (View Text File)
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|
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IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
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Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009014 |
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_database_code_amcsd 0016876 |
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10.5961 10.5961 10.5961 90 90 90 Ia3 |
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atom x y z |
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Y1 .96739 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39075 .15189 .38012 |
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|
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IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
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Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009015 |
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_database_code_amcsd 0016877 |
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10.5957 10.5957 10.5957 90 90 90 Ia3 |
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atom x y z |
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Y1 .96832 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39056 .15163 .38041 |
|
|
| Download AMC data (View Text File)
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|
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O3 Y Zr |
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Baldinozzi G, Berar J, Calvarin G |
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Materials Science Forum 278 (1998) 680-685 |
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Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009016 |
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_database_code_amcsd 0016878 |
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10.5392 10.5392 10.5392 90 90 90 Ia3 |
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atom x y z occ |
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Y1 -.0214 0 .25 .667 |
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Zr1 -.0214 0 .25 .333 |
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Zr2 .25 .25 .25 |
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O1 .3814 .1494 .3795 |
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| Download AMC data (View Text File)
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|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009017 |
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_database_code_amcsd 0016879 |
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10.5818 10.5818 10.5818 90 90 90 Ia3 |
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atom x y z |
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Y1 .96808 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39035 .15145 .38037 |
|
|
| Download AMC data (View Text File)
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|
| |
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O3 Y Zr |
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Baldinozzi G, Berar J, Calvarin G |
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Materials Science Forum 278 (1998) 680-685 |
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Rietveld refinement of two-phase Zr-doped Y2 O3 |
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_cod_database_code 1009018 |
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_database_code_amcsd 0016880 |
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10.515 10.515 10.515 90 90 90 Ia3 |
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atom x y z occ |
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Y1 -.018 0 .25 .667 |
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Zr1 -.018 0 .25 .333 |
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Zr2 .25 .25 .25 |
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O1 .379 .149 .381 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009013 |
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_database_code_amcsd 0016875 |
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10.6056 10.6056 10.6056 90 90 90 Ia3 |
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atom x y z |
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Y1 .96742 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39072 .15190 .38016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009014 |
|
_database_code_amcsd 0016876 |
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10.5961 10.5961 10.5961 90 90 90 Ia3 |
|
atom x y z |
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Y1 .96739 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39075 .15189 .38012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009015 |
|
_database_code_amcsd 0016877 |
|
10.5957 10.5957 10.5957 90 90 90 Ia3 |
|
atom x y z |
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Y1 .96832 0 .25 |
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Y2 .25 .25 .25 |
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O1 .39056 .15163 .38041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
IMA2010-039 |
| |
Baldinozzi G, Berar J, Calvarin G |
| |
Materials Science Forum 278 (1998) 680-685 |
|
Rietveld refinement of two-phase Zr-doped Y2 O3 |
|
_cod_database_code 1009017 |
|
_database_code_amcsd 0016879 |
|
10.5818 10.5818 10.5818 90 90 90 Ia3 |
|
atom x y z |
|
Y1 .96808 0 .25 |
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Y2 .25 .25 .25 |
|
O1 .39035 .15145 .38037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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