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Cl4 Rb2 Zn |
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Hedoux A, Grebille D, Jaud J, Godefroy G |
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Acta Crystallographica B45 (1989) 370-378 |
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Structural study of the incommensurate and lock-in phases of Rb2ZnCl4 |
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_cod_database_code 1001389 |
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_database_code_amcsd 0009830 |
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7.230 12.608 9.199 90 90 90 P2_1cn |
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atom x y z |
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Rb1 .25 .4067 .6298 |
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Rb2 .25 .8196 .4862 |
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Zn1 .25 .4217 .224 |
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Cl1 .25 .4189 -.0175 |
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Cl2 .25 .5851 .3204 |
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Cl3 .001 .341 .3139 |
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Cl4 .499 .341 .3139 |
|
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|
| |
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Cl4 Rb2 Zn |
| |
Hedoux A, Grebille D, Jaud J, Godefroy G |
|
Acta Crystallographica B45 (1989) 370-378 |
|
Structural study of the incommensurate and lock-in phases of Rb2ZnCl4 |
|
_cod_database_code 1001390 |
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_database_code_amcsd 0009831 |
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7.253 12.646 9.221 90 90 90 Pmcn |
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atom x y z |
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Rb1 .25 .4067 .6298 |
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Rb2 .25 .8196 .4862 |
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Zn1 .25 .4217 .224 |
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Cl1 .25 .4189 -.0175 |
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Cl2 .25 .5851 .3204 |
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Cl3 .001 .341 .3139 |
|
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|
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Portlandite |
 |
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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|
| |
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Portlandite |
|
Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
|
Acta Crystallographica B49 (1993) 812-817 |
|
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
|
_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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Portlandite |
|
Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
|
Acta Crystallographica B49 (1993) 812-817 |
|
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
|
_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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J |
|
Acta Crystallographica B49 (1993) 812-817 |
|
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 |
|
_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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg O6 Pb2 W |
| |
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 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 |
|
|
| Download AMC data (View Text File)
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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 |
|
_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 |
|
atom x y z |
|
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 |
|
|
| Download AMC data (View Text File)
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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 |
| |
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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|
| |
|
Bi2 Fe2 O11 Sr2.591 |
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Perez O, Leligny H, Grebille D, Labbe P, Groult D, Raveau B |
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Journal of Physics: Condensed Matter 7 (1995) 10003-10014 |
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X-ray investigation of the incommensurate modulated structure of |
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Bi2+xSr3-xFe2O9+d |
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_cod_database_code 1001709 |
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_database_code_amcsd 0013280 |
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5.488 5.475 31.50899 90 90 90 Fmmm |
|
atom x y z occ |
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Bi1 .0221 0 .2028 .5 |
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Sr1 .5 0 .1176 .7955 |
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Sr2 .5 0 0 |
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Fe1 0 0 .0607 |
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O1 .25 .25 .0668 |
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O2 0 0 .1389 |
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O3 0 0 0 |
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O4 .6917 0 .1973 |
|
|
| Download AMC data (View Text File)
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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 |
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(ordered perovskite) Pb2 Mg Te O6 |
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_cod_database_code 1008898 |
|
_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) |
|
O1 .2608 0 0 .0052 .0220 .0220 0 0 0 |
|
Pb1 .25 .25 .25 |
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Te1 .5 .5 .5 |
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Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Elpasolite |
|
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 |
|
_cod_database_code 1008899 |
|
_database_code_amcsd 0016766 |
|
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) |
|
O1 .2607 0 0 .0026 .0194 .0194 0 0 0 |
|
Pb1 .25 .25 .25 |
|
Te1 .5 .5 .5 |
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Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Elpasolite |
|
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 |
|
_cod_database_code 1008900 |
|
_database_code_amcsd 0016767 |
|
5.6447 5.6447 5.6447 59.923 59.923 59.923 R-3 |
|
atom x y z occ |
|
O1 .2408 .7384 .7559 |
|
Pb1 .248 .224 .274 .3333 |
|
Te1 .5 .5 .5 |
|
Mg1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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