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Macedonite |
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Glazer A M, Mabud S A |
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Acta Crystallographica B34 (1978) 1065-1070 |
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Powder profile refinement of lead zirconate titanate at several temperatures. |
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II. Pure PbTiO3 |
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Locality: synthetic |
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Sample: T = -183 C |
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_database_code_amcsd 0009629 |
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3.895 3.895 4.171 90 90 90 P4mm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb 0 0 0 .378 .001154 .001154 .003736 0 0 0 |
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Ti .5 .5 .54 .284 .003131 .003131 -.001150 0 0 0 |
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O1 .5 .5 .118 .670 .006262 .006262 .023423 0 0 0 |
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O2 .5 0 .621 .498 .015820 .008404 .016382 0 0 0 |
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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 (permalink)
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| |
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Macedonite |
|
Glazer A M, Mabud S A |
|
Acta Crystallographica B34 (1978) 1065-1070 |
|
Powder profile refinement of lead zirconate titanate at several temperatures. |
|
II. Pure PbTiO3 |
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Locality: synthetic |
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Sample; T = -115 C |
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_database_code_amcsd 0009630 |
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3.899 3.899 4.167 90 90 90 P4mm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb 0 0 0 .757 .012334 .012334 .011662 0 0 0 |
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Ti .5 .5 .541 .364 .001480 .001480 .010078 0 0 0 |
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O1 .5 .5 .1148 .713 .013649 .013649 .016269 0 0 0 |
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O2 .5 0 .6208 .862 .011018 .004933 .018861 0 0 0 |
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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 (permalink)
|
| |
|
Macedonite |
|
Glazer A M, Mabud S A |
|
Acta Crystallographica B34 (1978) 1065-1070 |
|
Powder profile refinement of lead zirconate titanate at several temperatures. |
|
II. Pure PbTiO3 |
|
Locality: synthetic |
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Sample: T = 25 C |
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_database_code_amcsd 0009631 |
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3.905 3.905 4.156 90 90 90 P4mm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb 0 0 0 .706 .009017 .008853 .012448 0 0 0 |
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Ti .5 .5 .539 .060 -.002131 -.002131 .010277 0 0 0 |
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O1 .5 .5 .114 .351 .012952 .012952 .005934 0 0 0 |
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O2 .5 0 .617 .477 .010165 -.005410 .013316 0 0 0 |
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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 (permalink)
|
| |
|
Macedonite |
|
Glazer A M, Mabud S A |
|
Acta Crystallographica B34 (1978) 1065-1070 |
|
Powder profile refinement of lead zirconate titanate at several temperatures. |
|
II. Pure PbTiO3 |
|
Locality: synthetic |
|
Sample: T = 550 C |
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_database_code_amcsd 0009632 |
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3.97 3.97 3.97 90 90 90 P4/mmm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb 0 0 0 2.711 .042986 .042986 .042986 0 0 0 |
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Ti .5 .5 .5 .694 .011341 .011341 .011341 0 0 0 |
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O1 .5 .5 0 1.549 .013974 .013974 .047459 0 0 0 |
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O2 .5 0 .5 1.549 .013974 .047459 .013974 0 0 0 |
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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 (permalink)
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Macedonite |
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Cole S, Espenschied H |
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Journal of Physical Chemistry 41 (1937) 445-451 |
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Lead titanate: crystal structure, temperature of formation, and |
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specific gravity data |
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_cod_database_code 1011028 |
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_database_code_amcsd 0017934 |
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4.000 4.211 3.875 90 90 90 Pmmm |
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atom x y z |
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Pb1 0 0 0 |
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Ti1 .5 .5 .5 |
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O1 .5 .5 0 |
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O2 .5 0 .5 |
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O3 0 .5 .5 |
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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 (permalink)
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