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Langbeinite |
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Speer D, Salje E |
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Physics and Chemistry of Minerals 13 (1986) 17-24 |
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Phase transitions in langbeinites I: Crystal chemistry |
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and structures of K-double sulfates of the langbeinite |
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type M2++K2(SO4)3, M++=Mg,Ni,Co,Zn,Ca |
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Sample: K2Ca2(SO4)3, T = 260 C |
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10.4289 10.4289 10.4289 90 90 90 P2_13 |
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atom x y z |
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K1 .8158 .8158 .8158 |
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K2 .0520 .0520 .0520 |
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Ca1 .3301 .3301 .3301 |
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Ca2 .5885 .5885 .5885 |
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S1 .2281 .3746 .0095 |
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O1 .3159 .2805 .9584 |
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O2 .1008 .3224 .0088 |
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O3 .2334 .4844 .9273 |
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O4 .2652 .4156 .1352 |
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Langbeinite |
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Oelkrug H, Bruckel T, Hohlwein D, Hoser A, Prandl W |
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Physics and Chemistry of Minerals 16 (1988) 246-249 |
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The magnetic structure of the langbeinite K2Mn2(SO4)3 |
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Locality: synthetic |
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10.1073 10.1073 10.1073 90 90 90 P2_13 |
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atom x y z Biso |
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K1 .8065 .8065 .8065 2.9 |
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K2 .0515 .0515 .0515 4.6 |
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Mn1 .3299 .3299 .3299 -2.3 |
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Mn2 .5983 .5983 .5983 3.5 |
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S .2198 .3799 .0136 2.5 |
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O1 .3010 .2694 .9575 3.6 |
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O2 .0838 .3350 .0061 3.4 |
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O3 .2308 .4909 .9280 3.1 |
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O4 .2609 .4147 .1473 2.4 |
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Langbeinite |
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Oelkrug H, Bruckel T, Hohlwein D, Hoser A, Prandl W |
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Physics and Chemistry of Minerals 16 (1988) 246-249 |
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The magnetic structure of the langbeinite K2Mn2(SO4)3 |
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Sample at T = 4.2 K |
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Note, there is something wrong with this dataset. |
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Locality: synthetic |
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10.0443 10.0735 10.0036 90 90 90 P2_12_12_1 |
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atom x y z Biso |
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K1 .1711 .3237 .6799 .45 |
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K2 .0218 .0519 .0483 .45 |
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Mn1 .2746 .3558 .3461 .45 |
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Mn2 .3856 .0809 .9307 .45 |
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S1 .2709 .3349 .0414 .45 |
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S2 .3914 .0233 .2114 .45 |
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S3 .9702 .2171 .3677 .45 |
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O1 .3130 .2578 .0125 .45 |
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O2 .0782 .3312 .9885 .45 |
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O3 .2697 .4712 .9387 .45 |
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O4 .2196 .4275 .1610 .45 |
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O5 .2995 .9243 .3252 .45 |
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O6 .8195 .9899 .1072 .45 |
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O7 .5158 .9573 .2445 .45 |
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O8 .3778 .1527 .2928 .45 |
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O9 .9577 .2748 .2598 .45 |
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O10 .0582 .0768 .3398 .45 |
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O11 .9152 .1799 .4823 .45 |
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O12 .1250 .2827 .4345 .45 |
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Langbeinite |
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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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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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Langbeinite |
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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 = 540 K |
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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 |
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Langbeinite |
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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 = 640 K |
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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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