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Katoite |
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Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G |
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European Journal of Mineralogy 15 (2003) 419-426 |
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A new occurrence of katoite and re-examination of the hydrogrossular group |
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Sample: Unsplit-O model, T = 200 K |
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_database_code_amcsd 0006980 |
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12.270 12.270 12.270 90 90 90 Ia-3d |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023 |
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Al 0 0 0 .0137 .0137 .0137 .0137 -.0036 -.0036 -.0036 |
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Si 3/8 0 1/4 .364 .0063 .0059 .0065 .0065 0 0 0 |
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O .03237 .04982 .64450 .0219 .0298 .0173 .0187 -.0072 .0120 -.0073 |
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H .075 .061 .655 .636 |
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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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| |
|
Katoite |
|
Ferro O, Galli E, Papp G, Quartieri S, Szakall S, Vezzalini G |
| |
European Journal of Mineralogy 15 (2003) 419-426 |
|
A new occurrence of katoite and re-examination of the hydrogrossular group |
|
Sample: Split-O model, T = 200 K |
|
_database_code_amcsd 0006981 |
|
12.270 12.270 12.270 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 1/8 0 1/4 .972 .0094 .0108 .0087 .0087 0 0 .0023 |
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Al 0 0 0 .0136 .0136 .0136 .0136 -.0037 -.0037 -.0037 |
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Si 3/8 0 1/4 .368 .0068 .0063 .0070 .0070 0 0 0 |
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O1 .0439 .0436 .6528 .37 .0084 |
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O2 .0250 .0537 .6393 .63 .0152 |
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H .081 .060 .656 .63 .0380 |
|
|
| 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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