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Mayenite |
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Boysen H, Lerch M, Stys A, Senyshyn A |
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Acta Crystallographica B63 (2007) 675-682 |
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Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature |
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neutron powder diffraction study |
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Locality: synthetic |
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Sample: T = 293 K |
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_database_code_amcsd 0009964 |
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11.9794 11.9794 11.9794 90 90 90 I-43d |
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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 .1432 0 .25 .875 .0172 .032 .0082 .0111 0 0 .0010 |
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Ca' .1867 0 .25 .125 .019 |
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Al1 .01880 .01880 .01880 .0091 .0091 .0091 .0091 -.0003 -.0003 -.0003 |
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Al2 .875 0 .25 .0071 .003 .0090 .0090 0 0 0 |
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O1 .78672 .09946 .30708 .0138 .0144 .0146 .0123 .0077 .0041 .0011 |
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O2 -.06481 -.06481 -.06481 .0151 .0151 .0151 .0151 -.0023 -.0023 -.0023 |
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O3 .375 0 .25 .251 .036 |
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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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| |
|
Mayenite |
|
Boysen H, Lerch M, Stys A, Senyshyn A |
|
Acta Crystallographica B63 (2007) 675-682 |
|
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature |
|
neutron powder diffraction study |
|
Locality: synthetic |
|
Sample: T = 973 K |
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_database_code_amcsd 0009965 |
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12.0308 12.0308 12.0308 90 90 90 I-43d |
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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 .1464 0 .25 .910 .0342 .041 .035 .027 0 0 .0004 |
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Ca' .195 0 .25 .090 .016 |
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Al1 .0176 .0176 .0176 .0183 .0183 .0183 .0183 -.0007 -.0007 -.0007 |
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Al2 .875 0 .25 .0141 .005 .0187 .0187 0 0 0 |
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O1 .78685 .10030 .30637 .0291 .0334 .0268 .0270 .0194 .0131 .0041 |
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O2 -.06453 -.06453 -.06453 .0301 .0301 .0301 .0301 -.0102 -.0102 -.0102 |
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O3 .25 .375 0 .181 .038 |
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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
|
| |
|
Mayenite |
|
Boysen H, Lerch M, Stys A, Senyshyn A |
|
Acta Crystallographica B63 (2007) 675-682 |
|
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature |
|
neutron powder diffraction study |
|
Locality: synthetic |
|
Sample: T = 1223 K |
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_database_code_amcsd 0009966 |
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12.0449 12.0449 12.0449 90 90 90 I-43d |
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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 .1452 0 .25 .942 .0410 .054 .039 .030 0 0 -.0002 |
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Ca' .211 0 .25 .058 .017 |
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Al1 .0185 .0185 .0185 .0200 .0200 .0200 .0200 -.0024 -.0024 -.0024 |
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Al2 .875 0 .25 .0219 .018 .0241 .0241 0 0 0 |
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O1 .78787 .10043 .30624 .0363 .0400 .0332 .0357 .0239 .0146 .0037 |
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O2 -.06386 -.06386 -.06386 .0375 .0375 .0375 .0375 -.0109 -.0109 -.0109 |
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O3 .375 0 .25 .116 .14 |
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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
|
| |
|
Mayenite |
|
Boysen H, Lerch M, Stys A, Senyshyn A |
|
Acta Crystallographica B63 (2007) 675-682 |
|
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature |
|
neutron powder diffraction study |
|
Locality: synthetic |
|
Sample: T = 1323 K |
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_database_code_amcsd 0009967 |
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12.0585 12.0585 12.0585 90 90 90 I-43d |
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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 .1456 0 .25 .926 .047 .066 .041 .034 0 0 .000 |
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Ca' .212 0 .25 .074 .05 |
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Al1 .0183 .0183 .0183 .0253 .0253 .0253 .0253 -.0035 -.0035 -.0035 |
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Al2 .875 0 .25 .0199 .014 .0231 .0231 0 0 0 |
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O1 .78779 .10087 .30547 .0430 .0514 .0398 .0379 .0291 .0149 .0031 |
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O2 -.06399 -.06399 -.06399 .0428 .0428 .0428 .0428 -.0119 -.0119 -.0119 |
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O3 .375 0 .25 .15 .28 |
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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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