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Kolbeckite |
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Yang H, Li C, Jenkins R A, Downs R T, Costin G |
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Acta Crystallographica C63 (2007) i91-i92 |
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Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite |
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Locality: Hot Springs County, Arkansas, USA |
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_database_code_amcsd 0010338 |
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5.4258 10.2027 8.9074 90 90.502 90 P2_1/n |
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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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Sc .41180 .33384 .29797 .94 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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V .41180 .33384 .29797 .03 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Fe .41180 .33384 .29797 .02 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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Al .41180 .33384 .29797 .01 .01235 .01037 .01073 .01594 .00000 .00024 -.00057 |
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P -.08648 .15360 .17938 .01197 .01036 .01061 .01494 .00055 .00074 -.00022 |
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O1 .16573 .18718 .24833 .02099 .01207 .01509 .03573 -.00046 -.00409 -.00584 |
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O2 -.10604 .20645 .02028 .02537 .04097 .01995 .01522 .00354 .00152 .00167 |
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O3 -.28691 .21526 .27535 .01868 .01642 .01808 .02163 .00463 .00473 .00065 |
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O4 -.11366 .00430 .18163 .01702 .01328 .01151 .02627 .00016 -.00049 .00057 |
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O5 .10392 .46097 .29539 .04840 .01217 .01524 .11783 .00175 .00291 .00654 |
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O6 .43332 .36350 .05529 .03985 .04760 .05120 .02070 -.00914 -.00298 -.00224 |
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H1 -.02758 .46121 .28771 .02066 |
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H2 .15760 .53565 .27518 .05383 |
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H3 .31004 .32961 -.01456 .04282 |
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H4 .34954 .40089 .06978 .00001 |
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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 (permalink) |
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Kolbeckite |
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Bull I, Young V, Teat S J, Peng L, Grey C P, Parise J B |
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Chemistry of Materials 15 (2003) 3818-3825 |
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Hydrothermal synthesis and structural characterization of four scandium |
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phosphate frameworks |
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Locality: synthetic |
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_database_code_amcsd 0012220 |
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5.4429 10.2513 8.9094 90 90.253 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc .0891 .33377 .2023 .0052 .0029 .0026 .0101 .0001 -.0008 .0008 |
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P .0864 .3467 -.1801 .0055 .0043 .0044 .0077 -.0001 -.0014 -.0005 |
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O2 .1165 .4948 -.1825 .0083 .0078 .0080 .0092 .0002 .0000 .0001 |
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O3 .1068 .2950 -.0199 .0196 .0209 .0186 .0192 .0001 .0000 .0003 |
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O4 -.1660 .3126 -.2482 .0122 .012 .0119 .013 .0004 -.0008 -.0005 |
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O5 .2842 .2852 -.2755 .0117 .0112 .0109 .0130 -.0002 .0002 -.0004 |
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Wat1 .3974 .4620 .2036 .0261 .025 .025 .028 -.0003 .0001 -.0003 |
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Wat6 .0746 .3654 .4442 .030 .030 .030 .029 .0010 -.0002 -.0001 |
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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 (permalink) |
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