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K2Cd2(SO4)3 |
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Percival M J L, Schmahl W W, Salje E |
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Physics and Chemistry of Minerals 16 (1989) 569-575 |
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Structure of cobalt doped K2Cd2(SO4)3 langbeinite at |
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three temperatures above the P2_13-P2_12_12_1 phase transition, |
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and a new trigger mechanism for the ferroelastic transformation |
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Sample: T = 440 K |
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_database_code_amcsd 0007459 |
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10.2643 10.2643 10.2643 90 90 90 *P2_13 |
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.25 .25 .25 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .8146 .8146 .8146 .0405 .0405 .0405 -.0022 -.0022 -.0022 |
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K2 .0520 .0520 .0520 .0432 .0432 .0432 .0008 .0008 .0008 |
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Cd1 .32984 .32984 .32984 .0277 .0277 .0277 -.0040 -.0040 -.0040 |
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Cd2 .58701 .58701 .58701 .0236 .0236 .0236 -.0010 -.0010 -.0010 |
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S1 .3752 .2266 .0117 .0185 .0189 .0183 .0040 .0018 .0008 |
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O1 .0962 .0064 .3244 .0263 .1168 .0647 .0130 -.0119 -.0384 |
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O2 .2811 .3180 .9602 .0572 .0543 .1137 .0331 -.0339 .0061 |
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O3 .4175 .2602 .1431 .0790 .1078 .0343 .0079 -.0160 -.0309 |
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O4 .9311 .4891 .2394 .0826 .0638 .1433 .0615 .0258 .0253 |
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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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|
K2Cd2(SO4)3 |
| |
Percival M J L, Schmahl W W, Salje E |
| |
Physics and Chemistry of Minerals 16 (1989) 569-575 |
|
Structure of cobalt doped K2Cd2(SO4)3 langbeinite at |
|
three temperatures above the P2_13-P2_12_12_1 phase transition, |
|
and a new trigger mechanism for the ferroelastic transformation |
|
Sample: T = 540 K |
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_database_code_amcsd 0007460 |
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10.2850 10.2850 10.2850 90 90 90 *P2_13 |
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.25 .25 .25 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .8146 .8146 .8146 .0480 .0480 .0480 -.0017 -.0017 -.0017 |
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K2 .0518 .0518 .0518 .0514 .0514 .0514 .0014 .0014 .0014 |
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Cd1 .3303 .3303 .3303 .0299 .0299 .0299 -.0031 -.0031 -.0031 |
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Cd2 .5872 .5872 .5872 .0278 .0278 .0278 -.0012 -.0012 -.0012 |
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S1 .3752 .2264 .0119 .0216 .0218 .0207 .0042 .0019 .0003 |
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O1 .0962 .0088 .3242 .0257 .1202 .0763 .0127 -.0128 -.0401 |
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O2 .2816 .3176 .9608 .0589 .0563 .1148 .0304 -.0387 .0041 |
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O3 .4160 .2600 .1437 .0880 .1040 .0405 .0116 -.0187 -.0309 |
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O4 .9322 .4890 .2394 .0773 .0663 .1387 .0535 .0184 .0283 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
K2Cd2(SO4)3 |
| |
Percival M J L, Schmahl W W, Salje E |
| |
Physics and Chemistry of Minerals 16 (1989) 569-575 |
|
Structure of cobalt doped K2Cd2(SO4)3 langbeinite at |
|
three temperatures above the P2_13-P2_12_12_1 phase transition, |
|
and a new trigger mechanism for the ferroelastic transformation |
|
Sample: T = 640 K |
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_database_code_amcsd 0007461 |
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10.3043 10.3043 10.3043 90 90 90 *P2_13 |
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.25 .25 .25 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .8148 .8148 .8148 .0528 .0528 .0528 -.0014 -.0014 -.0014 |
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K2 .0516 .0516 .0516 .0576 .0576 .0576 .0020 .0020 .0020 |
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Cd1 .3305 .3305 .3305 .0322 .0322 .0322 -.0027 -.0027 -.0027 |
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Cd2 .5876 .5876 .5876 .0311 .0311 .0311 -.0016 -.0016 -.0016 |
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S1 .3749 .2263 .0121 .0239 .0242 .0229 .0047 .0018 .0000 |
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O1 .0978 .0080 .3260 .0301 .1184 .0715 .0153 -.0188 -.0377 |
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O2 .2865 .3171 .9583 .0625 .0592 .1249 .0340 -.0465 -.0010 |
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O3 .4170 .2632 .1412 .0819 .0909 .0460 .0052 -.0091 -.0309 |
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O4 .9335 .4878 .2434 .0749 .0638 .1122 .0483 .0061 .0191 |
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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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