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Brookite |
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Meagher E P, Lager G A |
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The Canadian Mineralogist 17 (1979) 77-85 |
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Polyhedral thermal expansion in the TiO2 polymorphs: Refinement |
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of the crystal structures of rutile and brookite at high temperature |
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Sample at 25 degrees C |
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9.174 5.449 5.138 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .1289 .0972 .8628 .0013 .0038 .0022 -.0000 .0001 -.0002 |
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O1 .0095 .1491 .1835 .0017 .0045 .0026 -.0004 .0007 -.0008 |
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O2 .2314 .1110 .5366 .0007 .0076 .0044 .0006 .0005 .0013 |
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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
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Brookite |
|
Meagher E P, Lager G A |
|
The Canadian Mineralogist 17 (1979) 77-85 |
|
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement |
|
of the crystal structures of rutile and brookite at high temperature |
|
Sample at 280 degrees C |
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9.175 5.459 5.149 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .1290 .0985 .8627 .0029 .0065 .0048 -.0002 .0001 -.0000 |
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O1 .0096 .1490 .1832 .0025 .0871 .0062 -.0008 .0007 -.0014 |
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O2 .2312 .1118 .5358 .0030 .0088 .0055 .0008 .0004 .0008 |
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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
|
| |
|
Brookite |
|
Meagher E P, Lager G A |
|
The Canadian Mineralogist 17 (1979) 77-85 |
|
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement |
|
of the crystal structures of rutile and brookite at high temperature |
|
Sample at 425 degrees C |
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9.191 5.463 5.157 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .1289 .0992 .8628 .0036 .0081 .0060 -.0002 .0004 .0001 |
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O1 .0098 .149 .1838 .0034 .0106 .0079 -.0012 .0011 -.0016 |
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O2 .2312 .1116 .5362 .0036 .0119 .0070 .0015 .0010 .0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brookite |
|
Meagher E P, Lager G A |
|
The Canadian Mineralogist 17 (1979) 77-85 |
|
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement |
|
of the crystal structures of rutile and brookite at high temperatures |
|
Sample at 625 degrees C |
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9.211 5.472 5.171 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .1290 .0999 .8628 .0040 .0110 .0093 -.0001 .0000 .0001 |
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O1 .0098 .1484 .1831 .0034 .0143 .0104 -.0025 .0004 -.0015 |
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O2 .2322 .1117 .5366 .0039 .0155 .0010 .0023 .0008 .0001 |
|
|
| 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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Brookite |
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Wyckoff R W G |
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Crystal Structures 1 (1963) 239-444 |
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Second edition. Interscience Publishers, New York, New York |
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9.184 5.447 5.145 90 90 90 Pbca |
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atom x y z |
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Ti .1290 .0972 -.1371 |
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O1 .0101 .1486 .1824 |
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O2 .2304 .1130 -.4629 |
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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
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