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Mn2Fe(CO)14 |
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Agron P, Ellison R, Levy H |
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Acta Crystallographica 23 (1967) 1079-1086 |
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The crystal structure of dimanganese iron carbonyl, Mn2Fe(CO)14 |
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_cod_database_code 1008061 |
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_database_code_amcsd 0016003 |
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11.935 14.287 11.732 90 97.23 90 C2/m |
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atom x y z |
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Mn1 .2200 0 -.0653 |
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Mn2 0 .3041 .5 |
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Fe1 0 0 0 |
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Fe2 0 .5 .5 |
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C1 .0580 0 .1486 |
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O1 .0946 0 .2441 |
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C2 0 .1250 0 |
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O2 0 .2062 0 |
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C3 .1693 .0912 -.1717 |
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O3 .1401 .1465 -.2377 |
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C4 .3610 0 -.1042 |
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O4 .4498 0 -.1288 |
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C5 .2525 .0940 .0432 |
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O5 .2749 .1537 .1055 |
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C6 .1282 .5 .4358 |
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O6 .2106 .5 .3948 |
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C7 .0819 .5 .6408 |
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O7 .1353 .5 .7283 |
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C8 0 .1772 .5 |
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O8 0 .0982 .5 |
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C9 .1490 .3152 .5650 |
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O9 .2402 .3210 .6055 |
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C10 .0437 .3088 .3538 |
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O10 .0700 .3096 .2635 |
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Bischofite |
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Agron P A, Busing W R |
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Acta Crystallographica C41 (1985) 8-10 |
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Magnesium dichloride hexahydrate, MgCl2*6H2O, by neutron diffraction |
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Locality: synthetic |
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_database_code_amcsd 0010001 |
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9.8607 7.1071 6.0737 90 93.758 90 C2/m |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg 0 0 0 2.0 .0226 .0295 .0245 0 .0018 0 |
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Cl .3176 0 .6122 2.8 .0312 .0407 .0359 0 .0052 0 |
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O1 .2019 0 .1095 3.5 .0256 .0689 .0379 0 -.0017 0 |
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O2 -.0429 .2067 .2233 3.9 .0453 .0497 .0538 -.0100 .0196 -.0231 |
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H1 .2372 0 .2583 5.0 .0486 .0861 .0527 0 -.0117 0 |
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H2 .2693 0 .0083 7.0 .0448 .1418 .0801 0 .0178 0 |
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H3 .0209 .2997 .2784 4.5 .0661 .0490 .0559 -.0065 .0017 -.0144 |
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H4 -.1161 .1984 .3151 5.9 .0647 .0947 .0702 .0032 .0319 -.0164 |
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Antarcticite |
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Agron P A, Busing W R |
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Acta Crystallographica C42 (1986) 141-143 |
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Calcium and strontium dichloride hexahydrates by neutron diffraction |
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_database_code_amcsd 0010027 |
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7.8759 7.8758 3.9545 90 90 120 P321 |
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atom x y z Biso |
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Ca 0 0 0 1.41 |
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Cl .3333 .6667 .4249 2.16 |
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O1 .3114 0 0 2.26 |
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O2 -.2132 0 .5000 1.94 |
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H1 .4326 .0988 -.0926 4.13 |
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H2 -.2330 .1113 .4835 3.58 |
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SrCl2*6H2O |
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Agron P A, Busing W R |
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Acta Crystallographica C42 (1986) 141-143 |
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Calcium and strontium dichloride hexahydrates by neutron diffraction |
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_database_code_amcsd 0010028 |
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7.9596 7.9596 4.1243 90 90 120 P321 |
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atom x y z Biso |
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Sr 0 0 0 1.34 |
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Cl .3333 .6667 .4190 2.44 |
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O1 .3229 0 0 2.57 |
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O2 -.2219 0 .5000 1.94 |
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H1 .4419 .0964 -.0899 4.51 |
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H2 -.2415 .1103 .4887 3.50 |
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Fe O14 Re2 |
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Agron P, Ellison R, Levy H |
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Acta Crystallographica C47 (1991) 913-916 |
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Structure of iron dirhenium tetradecacarbonyl, (Re(CO)5Fe(CO)4Re(CO)5) |
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_cod_database_code 1008494 |
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_database_code_amcsd 0016387 |
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12.062 14.679 11.816 90 97.31 90 C2/m |
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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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Fe1 0 0 0 .045 .068 .042 0 .007 0 |
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Re1 .22216 0 .93596 .0427 .0568 .0325 0 .0033 0 |
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C1 .0549 0 .1446 .05 .085 .076 0 .026 0 |
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C2 0 .1215 0 .075 .077 .069 0 .022 0 |
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C3 .1703 .0954 .8228 .060 .062 .050 -.017 .009 .001 |
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C4 .3680 0 .8968 .072 .069 .051 0 .004 0 |
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C5 .2584 .0974 .0517 .079 .063 .049 -.014 .013 .009 |
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O1 .0904 0 .2393 .089 .179 .052 0 .003 0 |
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O2 0 .2003 0 .157 .081 .120 0 .041 0 |
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O3 .1417 .1506 .7573 .099 .098 .074 .006 .001 .030 |
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O4 .4593 0 .8709 .059 .155 .081 0 .018 0 |
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O5 .2815 .1567 .1141 .134 .084 .069 -.024 -.008 -.024 |
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Fe2 0 .5 .5 .037 .030 .032 0 .005 0 |
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Re2 0 .3058 .5 .0518 .0329 .0449 0 .0029 0 |
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C6 .1216 .5 .4358 .064 .054 .057 0 -.009 0 |
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C7 .0817 .5 .6353 .051 .062 .047 0 .015 0 |
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C8 0 .1742 .5 .124 .059 .064 0 -.038 0 |
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C9 .1590 .3158 .5674 .068 .054 .063 .014 .015 .011 |
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C10 .0460 .3080 .3440 .055 .043 .066 .007 .005 -.002 |
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O6 .2075 .5 .3915 .062 .119 .075 0 .031 0 |
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O7 .1392 .5 .7229 .065 .102 .042 0 -.005 0 |
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O8 0 .0969 .5 .184 .028 .151 0 .011 0 |
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O9 .2491 .3227 .6092 .059 .102 .100 .024 -.011 -.024 |
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O10 .0719 .3100 .2529 .106 .114 .043 .006 .025 -.005 |
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F2 Xe |
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Levy H, Agron P |
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Journal of the American Chemical Society 85 (1963) 241-242 |
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The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction |
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_cod_database_code 1008156 |
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_database_code_amcsd 0016096 |
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4.315 4.315 6.99 90 90 90 I4/mmm |
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atom x y z |
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Xe1 0 0 0 |
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F1 0 0 .2837 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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