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Portlandite |
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Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
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Acta Crystallographica B49 (1993) 812-817 |
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Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
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_cod_database_code 1001768 |
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_database_code_amcsd 0009874 |
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3.589 3.589 4.911 90 90 120 P-3m1 |
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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 1/3 2/3 .7663 .0082 .0082 .0106 .00410 0 0 |
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H1 1/3 2/3 .5744 .051 .051 .0157 .0255 0 0 |
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Ca1 0 0 0 .0042 .0042 .0145 .00210 0 0 |
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| Download AMC data (View Text File)
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Portlandite |
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Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
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Acta Crystallographica B49 (1993) 812-817 |
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Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
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_cod_database_code 1001769 |
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_database_code_amcsd 0009875 |
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3.589 3.589 4.911 90 90 120 P-3m1 |
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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 1/3 2/3 .7659 .0032 .0032 .0049 .0016 0 0 |
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H1 1/3 2/3 .5715 .0346 .0346 .0107 .0173 0 0 |
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Ca1 0 0 0 .0016 .0016 .0062 .0008 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
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Acta Crystallographica B49 (1993) 812-817 |
|
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
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_cod_database_code 1001787 |
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_database_code_amcsd 0009876 |
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3.589 3.589 4.911 90 90 120 P-3m1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1 1/3 2/3 .7663 .0083 .0083 .0105 .00415 0 0 |
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H1 .3606 .7212 .5762 .333 .0353 .0353 .0162 .0187 .0025 -.0025 |
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Ca1 0 0 0 .0041 .0041 .0145 .00205 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Portlandite |
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Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
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Acta Crystallographica B49 (1993) 812-817 |
|
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
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_cod_database_code 1001788 |
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_database_code_amcsd 0009877 |
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3.589 3.589 4.911 90 90 120 P-3m1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1 1/3 2/3 .7658 .0031 .0031 .0044 .00155 0 0 |
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H1 .3599 .7198 .5725 .333 .0204 .0204 .0113 .0136 .0014 -.0014 |
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Ca1 0 0 0 .0015 .0015 .0061 .00075 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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O8 Pb3 V2 |
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Garnier P, Calvarin G, Berar J, Weigel D |
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Materials Research Bulletin 19 (1984) 407-414 |
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Etude des Phases Ferroelastiques de Pb3 V2 O8: Determination de |
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la Maille Cristalline de la Phase $-alpha Ferroelectrique Basse Temperature |
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_cod_database_code 1008163 |
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_database_code_amcsd 0016103 |
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7.460 6.191 9.348 90 116.63 90 A2 |
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atom x y z |
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Pb1 0 0 0 |
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Pb2 .387 .551 .281 |
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V1 .210 .024 .409 |
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O1 .252 .309 .057 |
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O2 .270 .703 .018 |
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O3 .307 .951 .291 |
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O4 .041 .484 .237 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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O8 Pb3 V2 |
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Garnier P, Calvarin G, Berar J, Weigel D |
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Materials Research Bulletin 19 (1984) 407-414 |
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Etude des Phases Ferroelastiques de Pb3 V2 O8: Determination de |
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la Maille Cristalline de la Phase $-alpha Ferroelectrique Basse Temperature |
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_cod_database_code 1008164 |
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_database_code_amcsd 0016104 |
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7.514 6.107 9.526 90 115.20 90 P2_1/c |
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atom x y z |
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Pb1 0 0 0 |
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Pb2 .384 .582 .288 |
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V1 .196 .234 .403 |
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O1 .274 .269 .015 |
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O2 .25 .706 .003 |
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O3 .324 .96 .268 |
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O4 .058 .545 .218 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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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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View JMOL 3-D Structure
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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 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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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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 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 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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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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View JMOL 3-D Structure
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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 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 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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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 |
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|
| 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 |
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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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|
| 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 |
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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 |
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|
| 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 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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