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Lasalite |
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Iida A, Ozeki T |
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Acta Crystallographica C60 (2004) i43-i46 |
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Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O |
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Locality: synthetic |
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_database_code_amcsd 0010329 |
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23.8384 11.0248 16.9332 90 118.005 90 C2/c |
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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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Mg .11263 .09300 .59027 .00735 .0082 .0069 .0064 -.0005 .0030 .0003 |
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Na .19887 .67605 .53862 .01792 .0257 .0151 .0096 -.0090 .0056 -.0037 |
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V1 .071893 .21033 .283133 .00579 .00634 .00436 .00689 .00063 .00328 .00035 |
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V2 .073321 .61761 .286072 .00558 .00648 .00398 .00618 -.00068 .00290 -.00018 |
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V3 .133464 .41597 .218853 .00599 .00583 .00621 .00645 -.00001 .00330 .00013 |
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V4 .155828 .41074 .412962 .00636 .00517 .00764 .00530 -.00022 .00166 .00039 |
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V5 .011514 .41638 .352932 .00489 .00573 .00466 .00435 -.00004 .00243 .00021 |
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O1 .07166 .06513 .28211 .0104 .0114 .0068 .0135 .0014 .0061 .0010 |
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O2 .07392 .76400 .28697 .0094 .0116 .0066 .0107 -.0012 .0057 .0002 |
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O3 .17340 .41393 .16419 .0097 .0089 .0115 .0105 -.0001 .0061 .0004 |
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O4 .21439 .41404 .51254 .0111 .0084 .0151 .0077 -.0008 .0021 .0008 |
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O5 .04407 .41401 .11155 .0074 .0078 .0077 .0071 -.0001 .0038 -.0002 |
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O6 .08335 .41632 .44589 .0070 .0071 .0081 .0050 .0006 .0022 .0008 |
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O7 .19249 .41349 .33890 .0076 .0072 .0083 .0070 .0005 .0030 .0012 |
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O8 .11699 .24886 .22362 .0074 .0086 .0059 .0084 .0005 .0045 .0003 |
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O9 .13695 .24692 .39493 .0075 .0073 .0067 .0076 .0011 .0028 .0013 |
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O10 .11717 .57965 .22367 .0075 .0086 .0066 .0082 -.0010 .0048 -.0002 |
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O11 .13780 .58033 .39391 .0076 .0072 .0073 .0071 -.0008 .0024 -.0002 |
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O12 .00939 .24470 .32797 .0065 .0074 .0055 .0064 -.0003 .0031 .0004 |
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O13 .00925 .58639 .32791 .0061 .0072 .0053 .0055 .0004 .0027 .0004 |
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O14 .06284 .41564 .27887 .0060 .0072 .0050 .0057 .0002 .0028 .0005 |
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O15 .11310 -.09275 .59606 .0111 .0170 .0077 .0078 -.0031 .0053 .0002 |
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O16 .04096 .09098 .46271 .0112 .0117 .0100 .0076 -.0028 .0010 .0030 |
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O17 .17754 .08550 .53848 .0094 .0071 .0119 .0089 -.0006 .0036 .0025 |
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O18 .17799 .08937 .72108 .0130 .0152 .0082 .0085 -.0005 -.0002 -.0003 |
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O19 .03705 .10426 .62451 .0105 .0115 .0127 .0069 -.0001 .0040 -.0002 |
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O20 .11855 .27880 .59552 .0127 .0246 .0074 .0077 .0019 .0089 .0008 |
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O21 .19082 .85630 .45240 .0181 .0197 .0139 .0156 .0000 .0041 -.0049 |
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O22 .26327 .78830 .66768 .0148 .0126 .0136 .0186 -.0033 .0076 -.0018 |
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O23 .23146 .12755 .29653 .0134 .0115 .0127 .0111 .0046 .0012 -.0006 |
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O24 .05511 .72088 .47750 .0186 .0381 .0113 .0108 -.0090 .0152 -.0042 |
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H15A .1137 -.127 .6325 .021 |
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H15B .0996 -.132 .5571 .019 |
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H16A .0321 .132 .430 .036 |
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H16B .0197 .038 .4394 .023 |
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H17A .1732 .128 .5001 .009 |
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H17B .2098 .087 .572 .032 |
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H18A .1941 .031 .7421 .021 |
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H18B .1913 .140 .7475 .024 |
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H19A .0447 .106 .6715 .020 |
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H19B .0158 .154 .6036 .021 |
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H20A .1091 .315 .5590 .016 |
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H20B .1190 .311 .633 .032 |
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H21A .1870 .913 .471 .048 |
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H21B .1597 .861 .405 .036 |
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H22A .2529 .810 .697 .036 |
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H22B .2906 .830 .6721 .025 |
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H23A .2055 .160 .2934 .020 |
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H23B .2555 .141 .349 .038 |
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H24A .0444 .687 .435 .042 |
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H24B .0472 .692 .5060 .015 |
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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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Mg3V10O28*28H2O |
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Iida A, Ozeki T |
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Acta Crystallographica C60 (2004) i43-i46 |
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Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O |
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_database_code_amcsd 0010330 |
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10.4834 10.7309 21.2293 90.751 97.866 103.663 P-1 |
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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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Mg1 .36814 .64111 .11116 .00893 .0095 .0075 .0090 .0020 -.0017 .0014 |
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Mg2 .23696 .85624 .31211 .00920 .0078 .0098 .0093 .0017 -.0004 .0016 |
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Mg3 .75884 .17655 .34686 .01084 .0100 .0088 .0133 .0007 .0030 -.0027 |
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V1 .01390 .24943 .023068 .00664 .00690 .00442 .00841 .00097 .00102 .00095 |
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V2 -.12606 -.14660 .086083 .00743 .00825 .00641 .00835 .00193 .00315 .00322 |
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V3 -.24898 .09011 .065604 .00790 .00663 .00810 .00975 .00250 .00251 .00216 |
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V4 .01812 .12080 .152868 .00824 .01062 .00869 .00560 .00372 -.00059 -.00024 |
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V5 .14348 .01526 .047124 .00594 .00472 .00586 .00672 .00114 -.00077 .00091 |
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V6 .34035 .37841 .395074 .00610 .00659 .00563 .00543 .00070 -.00008 .00045 |
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V7 .42408 .39064 .607632 .00640 .00611 .00720 .00543 .00099 .00018 .00168 |
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V8 .17308 .35497 .507868 .00697 .00490 .00793 .00744 .00051 .00044 .00095 |
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V9 .36096 .17784 .497797 .00725 .00746 .00472 .00866 .00048 -.00036 .00118 |
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V10 .60101 .40431 .496502 .00539 .00507 .00527 .00600 .00177 .00043 .00063 |
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O1 .06339 .39143 -.00221 .0118 .0118 .0068 .0172 .0025 .0033 .0020 |
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O2 -.17465 -.29019 .10872 .0140 .0177 .0102 .0159 .0034 .0076 .0052 |
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O3 -.39140 .11831 .07086 .0129 .0100 .0154 .0149 .0052 .0035 .0030 |
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O4 .07879 .17042 .22535 .0156 .0220 .0153 .0096 .0084 -.0047 -.0028 |
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O5 -.28150 .02503 -.02698 .0094 .0070 .0103 .0107 .0027 -.0002 .0013 |
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O6 .17817 .06983 .12320 .0097 .0097 .0104 .0085 .0032 -.0021 -.0002 |
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O7 -.15061 .14006 .14536 .0096 .0117 .0100 .0086 .0042 .0033 .0020 |
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O8 -.15803 .24264 .03364 .0090 .0092 .0087 .0100 .0039 .0012 .0023 |
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O9 .07406 .26798 .10794 .0095 .0097 .0072 .0105 .0010 -.0006 -.0012 |
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O10 -.27488 -.08202 .08441 .0101 .0075 .0110 .0126 .0021 .0039 .0027 |
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O11 -.04116 -.05820 .16011 .0097 .0126 .0105 .0072 .0046 .0027 .0026 |
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O12 .16761 .17856 .00828 .0075 .0057 .0057 .0102 -.0002 .0008 .0003 |
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O13 .04842 -.15684 .06161 .0073 .0074 .0073 .0071 .0024 .0000 .0031 |
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O14 -.04905 .04609 .04770 .0066 .0060 .0068 .0070 .0014 .0005 .0014 |
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O15 .31059 .37189 .31834 .0109 .0122 .0116 .0078 .0015 .0001 .0001 |
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O16 .45553 .39772 .68425 .0108 .0103 .0144 .0076 .0030 .0010 .0023 |
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O17 .01814 .33846 .51011 .0114 .0074 .0132 .0130 .0014 .0008 .0015 |
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O18 .35272 .02545 .49510 .0120 .0135 .0064 .0142 .0008 -.0013 .0011 |
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O19 .23428 .54803 .50650 .0083 .0072 .0091 .0089 .0031 .0003 .0006 |
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O20 .56095 .24272 .49581 .0076 .0084 .0058 .0085 .0022 .0004 .0007 |
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O21 .19249 .18854 .50297 .0086 .0085 .0061 .0100 -.0005 .0005 .0013 |
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O22 .17835 .36437 .41832 .0081 .0076 .0080 .0079 .0010 -.0006 .0010 |
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O23 .34650 .21115 .41172 .0084 .0100 .0052 .0087 .0008 -.0010 .0000 |
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O24 .24568 .37590 .59340 .0087 .0075 .0114 .0076 .0022 .0015 .0022 |
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O25 .41177 .22076 .58628 .0082 .0081 .0060 .0097 .0004 .0009 .0017 |
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O26 .54268 .42214 .40752 .0070 .0072 .0081 .0062 .0027 .0009 .0003 |
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O27 .61069 .43407 .58771 .0067 .0072 .0070 .0061 .0023 .0004 .0013 |
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O28 .39959 .39754 .50125 .0068 .0071 .0062 .0075 .0021 .0007 .0009 |
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O29 .20417 .70626 .13009 .0133 .0147 .0152 .0117 .0087 -.0010 .0015 |
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O30 .28291 .59050 .01891 .0119 .0126 .0076 .0130 .0012 -.0051 .0011 |
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O31 .45800 .82080 .08286 .0134 .0086 .0101 .0202 .0009 .0000 .0053 |
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O32 .47023 .70467 .20146 .0109 .0105 .0130 .0079 .0016 -.0015 .0025 |
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O33 .29112 .46667 .14471 .0132 .0093 .0089 .0187 -.0003 -.0033 .0042 |
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O34 .52740 .56597 .08970 .0131 .0120 .0117 .0158 .0022 .0041 .0003 |
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O35 .07560 .79128 .24116 .0109 .0087 .0113 .0118 .0017 -.0008 .0035 |
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O36 .27165 .67493 .30863 .0143 .0159 .0110 .0143 .0037 -.0048 .0019 |
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O37 .21552 .04021 .31645 .0135 .0163 .0103 .0115 .0034 -.0065 -.0005 |
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O38 .35812 .90049 .24374 .0143 .0157 .0093 .0186 .0021 .0069 .0017 |
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O39 .40325 .91515 .38250 .0126 .0099 .0181 .0098 .0049 -.0016 .0020 |
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O40 .12096 .80419 .38227 .0147 .0168 .0114 .0155 .0008 .0059 .0025 |
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O41 .55648 .15355 .34636 .0159 .0109 .0238 .0147 .0070 .0038 -.0019 |
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O42 .72967 -.02248 .34442 .0158 .0270 .0081 .0109 -.0007 .0071 -.0022 |
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O43 .79438 .17481 .44430 .0145 .0125 .0136 .0137 -.0021 -.0014 -.0019 |
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O44 .76817 .37020 .35071 .0207 .0299 .0129 .0211 .0043 .0117 -.0011 |
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O45 .72756 .16439 .24970 .0168 .0151 .0273 .0120 .0103 .0061 .0032 |
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O46 .96004 .1961 .34707 .0421 .0094 .0625 .0461 -.0068 .0071 -.0450 |
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O47 .84110 .67127 .28246 .0143 .0110 .0168 .0135 .0000 .0016 .0003 |
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O48 .45585 .35168 .21830 .0145 .0146 .0167 .0138 .0060 .0040 .0028 |
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O49 .72061 .85099 .22993 .0142 .0177 .0136 .0109 .0007 .0060 .0001 |
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O50 .47564 .11250 .18493 .0158 .0197 .0131 .0139 .0015 .0046 -.0005 |
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O51 .01521 .53150 .36980 .0196 .0206 .0196 .0181 .0047 .0012 .0044 |
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O52 .90891 .46003 .13737 .0196 .0286 .0139 .0173 .0070 .0042 -.0025 |
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O53 .00594 .98053 .42894 .0203 .0106 .0158 .0333 .0017 .0019 .0023 |
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O54 .08233 .46651 .25104 .0209 .0211 .0169 .0242 .0078 -.0035 -.0027 |
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O55A .4295 .3204 .0293 .685 .0140 .0107 .0131 .019 .0025 .0030 .0013 |
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O55B .4337 .3084 .0593 .315 .0162 |
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O56A .6925 .4934 .19051 .657 .0149 .0138 .0155 .0146 .0035 -.0008 .0040 |
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O56B .7229 .4420 .2211 .343 .0159 |
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H29A .1628 .7522 .1137 .020 |
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H29B .1900 .7178 .1642 .020 |
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H30A .2205 .5238 .0131 .018 |
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H30B .2432 .6377 -.0051 .018 |
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H31A .4236 .8815 .0703 .020 |
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H31B .5358 .8530 .0881 .020 |
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H32A .5426 .7466 .2038 .016 |
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H32B .4738 .6560 .2314 .016 |
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H33A .3384 .4274 .1681 .020 |
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H33B .2229 .4083 .1388 .020 |
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H34A .5030 .4927 .0740 .020 |
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H34B .5489 .5944 .0509 .020 |
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H35A .0472 .8420 .2168 .016 |
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H35B .0116 .7494 .2541 .016 |
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H36A .2218 .6072 .2889 .021 |
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H36B .3060 .6361 .3432 .021 |
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H37A .1804 .0755 .2880 .020 |
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H37B .2551 .0936 .3485 .020 |
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H38A .3946 .9771 .2304 .021 |
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H38B .3872 .8367 .2327 .021 |
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H39A .4594 .8714 .3881 .019 |
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H39B .3912 .9412 .4221 .019 |
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H40A .0904 .8621 .3985 .022 |
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H40B .0858 .7251 .3875 .022 |
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H41A .5000 .1857 .3613 .024 |
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H41B .4994 .0674 .3576 .024 |
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H42A .7349 -.0480 .3095 .024 |
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H42B .6958 -.0803 .3673 .024 |
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H43A .8552 .2404 .4684 .022 |
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H43B .7326 .1316 .4647 .022 |
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H44A .8449 .3895 .3510 .031 |
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H44B .7034 .4001 .3731 .031 |
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H45A .7818 .1741 .2246 .025 |
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H45B .6590 .1508 .2335 .025 |
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H46A .0279 .2606 .3681 .063 |
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H46B .9784 .1952 .3137 .063 |
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H47A .7985 .6085 .2618 .022 |
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H47B .8250 .6574 .3191 .022 |
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H48A .5403 .3916 .2203 .022 |
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H48B .4338 .3631 .2537 .022 |
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H49A .7611 .8841 .2026 .021 |
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H49B .7740 .8019 .2485 .021 |
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H50A .4809 .0987 .1465 .024 |
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H50B .4540 .1865 .1957 .024 |
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H51A .0360 .5202 .3320 .029 |
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H51B .0719 .5020 .3987 .029 |
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H52A .9151 .5284 .1173 .029 |
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H52B .9120 .4046 .1194 .029 |
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H53A .0582 .0612 .4413 .030 |
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H53B -.0711 .9261 .4567 .030 |
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H54A .0343 .4784 .2160 .031 |
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H54B .1085 .3954 .2455 .031 |
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H55A .3529 .2812 .0311 .685 .021 |
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H55B .4774 .2720 .0316 .685 .021 |
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H56A .7525 .4536 .1859 .657 .022 |
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H56B .6704 .5417 .1605 .657 .022 |
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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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