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Barioperovskite |
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Kwei G H, Lawson A C, Billinge S J L, Cheong S W |
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Journal of Physical Chemistry 97 (1993) 2368-2377 |
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Structures of the ferroelectric phases of barium titanate |
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Locality: synthetic |
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Note: T = 190 K |
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_database_code_amcsd 0018592 |
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3.9828 5.6745 5.6946 90 90 90 Amm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 .0009 .0042 .0084 .0098 0 0 0 |
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Ti .5 0 .5170 .0026 .0019 .0030 .0028 0 0 0 |
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O1 0 0 .4890 .0048 .0060 .0041 .0043 0 0 0 |
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O2 .5 .2561 .24843 .0025 .0019 .0009 .0046 0 0 .0032 |
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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) |
| |
|
Barioperovskite |
| |
Kwei G H, Lawson A C, Billinge S J L, Cheong S W |
| |
Journal of Physical Chemistry 97 (1993) 2368-2377 |
|
Structures of the ferroelectric phases of barium titanate |
|
Locality: synthetic |
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Note: T = 210 K |
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_database_code_amcsd 0018593 |
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3.9806 5.6710 5.6904 90 90 90 Amm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 .0012 .0032 .0104 .0101 0 0 0 |
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Ti .5 0 .5143 .0051 .0031 .0049 .0073 0 0 0 |
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O1 0 0 .4890 .0055 .0065 .0032 .0068 0 0 0 |
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O2 .5 .2561 .24833 .0031 .0022 .0006 .0064 0 0 .0023 |
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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) |
| |
|
Barioperovskite |
| |
Kwei G H, Lawson A C, Billinge S J L, Cheong S W |
| |
Journal of Physical Chemistry 97 (1993) 2368-2377 |
|
Structures of the ferroelectric phases of barium titanate |
|
Locality: synthetic |
|
Note: T = 230 K |
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_database_code_amcsd 0018594 |
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3.9841 5.6741 5.6916 90 90 90 Amm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 .0000 .0042 .0057 .0099 0 0 0 |
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Ti .5 0 .5079 .0074 .0005 .0089 .0128 0 0 0 |
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O1 0 0 .4921 .0048 .0075 .0031 .0039 0 0 0 |
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O2 .5 .2544 .24811 .0032 .0012 .0042 .0042 0 0 .0010 |
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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) |
| |
|
Barioperovskite |
| |
Kwei G H, Lawson A C, Billinge S J L, Cheong S W |
| |
Journal of Physical Chemistry 97 (1993) 2368-2377 |
|
Structures of the ferroelectric phases of barium titanate |
|
Locality: synthetic |
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Note: T = 250 K |
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_database_code_amcsd 0018595 |
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3.9855 5.6738 5.6903 90 90 90 Amm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 .0009 .0045 .0082 .00010 0 0 0 |
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Ti .5 0 .5124 .0066 .0034 .0088 .0075 0 0 0 |
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O1 0 0 .4874 .0059 .0068 .0043 .0066 0 0 0 |
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O2 .5 .2567 .24854 .0042 .0022 .0031 .0074 0 0 .0038 |
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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) |
| |
|
Barioperovskite |
| |
Kwei G H, Lawson A C, Billinge S J L, Cheong S W |
| |
Journal of Physical Chemistry 97 (1993) 2368-2377 |
|
Structures of the ferroelectric phases of barium titanate |
|
Locality: synthetic |
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Note: T = 270 K |
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_database_code_amcsd 0018596 |
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3.9874 5.6751 5.6901 90 90 90 Amm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 .0018 .0049 .0106 .0100 0 0 0 |
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Ti .5 0 .5169 .0034 .0026 .0042 .0035 0 0 0 |
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O1 0 0 .4010 .0054 .0047 .0060 .0055 0 0 0 |
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O2 .5 .2560 .24860 .0038 .0027 .0025 .0063 0 0 .0031 |
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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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Barioperovskite |
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Xiao C J, Jin C Q, Wang X H |
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Materials Chemistry and Physics 111 (2008) 209-212 |
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Crystal structure of dense nanocrystalline BaTiO3 ceramics |
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Locality: synthetic |
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Note: phase O (orthorhombic) |
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_database_code_amcsd 0018580 |
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4.0094 5.6214 5.6386 90 90 90 Amm2 |
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atom x y z Uiso |
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Ba .0 .0 .0 .176 |
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Ti .5 .0 .5100 .016 |
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O1 .0 .5 .4900 .045 |
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O2 .5 .7525 .7396 .028 |
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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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Barioperovskite |
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Shirane G, Danner H, Pepinsky R |
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Physical Review 105 (1957) 856-860 |
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Neutron diffraction study of orthorhombic BaTiO3 |
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Locality: synthetic |
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Note: orthorhombic structure |
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_database_code_amcsd 0018581 |
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3.990 5.669 5.682 90 90 90 Amm2 |
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atom x y z |
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Ba 0 0 0 |
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Ti .5 0 .510 |
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O1 0 0 .490 |
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O2 .5 .253 .237 |
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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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