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BaCaAlF7 |
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Werner F, Weil M |
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Acta Crystallographica E59 (2003) i17-i19 |
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alpha-BaCaAlF7 |
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_database_code_amcsd 0010396 |
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5.3664 5.3846 18.8262 90 92.319 90 P2/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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Ba .24906 .24041 -.067757 .01162 .01257 .01309 .00916 .00207 -.00020 .00030 |
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Ca1 .75 .20769 .75 .00786 .0084 .0073 .0078 0 -.0005 0 |
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Ca2 .25 .68150 .75 .00703 .0064 .0077 .0070 0 .0004 0 |
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Al .20069 .22470 .38092 .00837 .0091 .0089 .0071 .0002 .0000 .0002 |
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F1 .5997 .5949 .56404 .0165 .0170 .0201 .0122 -.0069 -.0017 -.0016 |
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F2 .5649 .8622 .68045 .0141 .0139 .0135 .0153 -.0004 .0054 -.0031 |
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F3 .0901 .4812 .32626 .0133 .0129 .0121 .0146 -.0013 -.0023 .0047 |
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F4 .4141 .3614 .69206 .0133 .0136 .0140 .0121 .0027 -.0017 -.0031 |
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F5 .0530 .7185 .56042 .0159 .0132 .0200 .0151 .0027 .0053 -.0009 |
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F6 .0154 -.0288 .67494 .0122 .0107 .0138 .0120 -.0022 -.0002 -.0012 |
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F7 .2750 -.0454 .43446 .0167 .0190 .0144 .0167 .0033 .0005 .0049 |
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| Download AMC data (View Text File)
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KPrF4 |
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Werner F, Weil M, Kubel F |
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Acta Crystallographica E59 (2003) i47-i49 |
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KPrF4 |
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_database_code_amcsd 0010403 |
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6.2727 3.7821 15.578 90 90 90 Pnma |
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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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K .27642 .75 .20181 .01499 .0110 .0213 .0126 0 .0006 0 |
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Pr .25113 .25 .438200 .00661 .00646 .00644 .00693 0 .00008 0 |
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F1 .1374 .25 .03669 .0128 .0106 .0131 .0147 0 .0026 0 |
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F2 -.0044 .75 .44107 .0102 .0099 .0097 .0109 0 .0005 0 |
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F3 .3956 .75 .36516 .0113 .0124 .0106 .0110 0 .0026 0 |
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F4 .0883 .25 .30555 .0143 .0170 .0158 .0101 0 -.0026 0 |
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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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