American Mineralogist Crystal Structure Database

6 matching records for this search.

Mn2Fe(CO)14
 
Agron P, Ellison R, Levy H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=23&spage=1079
Acta Crystallographica 23 (1967) 1079-1086
The crystal structure of dimanganese iron carbonyl, Mn2Fe(CO)14
_cod_database_code 1008061
_database_code_amcsd 0016003
11.935 14.287 11.732 90 97.23 90 C2/m
atom     x     y      z
Mn1  .2200     0 -.0653
Mn2      0 .3041     .5
Fe1      0     0      0
Fe2      0    .5     .5
C1   .0580     0  .1486
O1   .0946     0  .2441
C2       0 .1250      0
O2       0 .2062      0
C3   .1693 .0912 -.1717
O3   .1401 .1465 -.2377
C4   .3610     0 -.1042
O4   .4498     0 -.1288
C5   .2525 .0940  .0432
O5   .2749 .1537  .1055
C6   .1282    .5  .4358
O6   .2106    .5  .3948
C7   .0819    .5  .6408
O7   .1353    .5  .7283
C8       0 .1772     .5
O8       0 .0982     .5
C9   .1490 .3152  .5650
O9   .2402 .3210  .6055
C10  .0437 .3088  .3538
O10  .0700 .3096  .2635
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Bischofite
Download hom/bischofite.pdf
Agron P A, Busing W R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=8
Acta Crystallographica C41 (1985) 8-10
Magnesium dichloride hexahydrate, MgCl2*6H2O, by neutron diffraction
Locality: synthetic
_database_code_amcsd 0010001
9.8607 7.1071 6.0737 90 93.758 90 C2/m
atom      x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg        0     0     0  2.0  .0226  .0295  .0245      0  .0018      0
Cl    .3176     0 .6122  2.8  .0312  .0407  .0359      0  .0052      0
O1    .2019     0 .1095  3.5  .0256  .0689  .0379      0 -.0017      0
O2   -.0429 .2067 .2233  3.9  .0453  .0497  .0538 -.0100  .0196 -.0231
H1    .2372     0 .2583  5.0  .0486  .0861  .0527      0 -.0117      0
H2    .2693     0 .0083  7.0  .0448  .1418  .0801      0  .0178      0
H3    .0209 .2997 .2784  4.5  .0661  .0490  .0559 -.0065  .0017 -.0144
H4   -.1161 .1984 .3151  5.9  .0647  .0947  .0702  .0032  .0319 -.0164
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Antarcticite
Download hom/antarcticite.pdf
Agron P A, Busing W R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=42&spage=141
Acta Crystallographica C42 (1986) 141-143
Calcium and strontium dichloride hexahydrates by neutron diffraction
_database_code_amcsd 0010027
7.8759 7.8758 3.9545 90 90 120 P321
atom      x     y      z Biso
Ca        0     0      0 1.41
Cl    .3333 .6667  .4249 2.16
O1    .3114     0      0 2.26
O2   -.2132     0  .5000 1.94
H1    .4326 .0988 -.0926 4.13
H2   -.2330 .1113  .4835 3.58
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SrCl2*6H2O
 
Agron P A, Busing W R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=42&spage=141
Acta Crystallographica C42 (1986) 141-143
Calcium and strontium dichloride hexahydrates by neutron diffraction
_database_code_amcsd 0010028
7.9596 7.9596 4.1243 90 90 120 P321
atom      x     y      z Biso
Sr        0     0      0 1.34
Cl    .3333 .6667  .4190 2.44
O1    .3229     0      0 2.57
O2   -.2219     0  .5000 1.94
H1    .4419 .0964 -.0899 4.51
H2   -.2415 .1103  .4887 3.50
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Fe O14 Re2
 
Agron P, Ellison R, Levy H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=913
Acta Crystallographica C47 (1991) 913-916
Structure of iron dirhenium tetradecacarbonyl, (Re(CO)5Fe(CO)4Re(CO)5)
_cod_database_code 1008494
_database_code_amcsd 0016387
12.062 14.679 11.816 90 97.31 90 C2/m
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1       0     0      0   .045   .068   .042      0   .007      0
Re1  .22216     0 .93596  .0427  .0568  .0325      0  .0033      0
C1    .0549     0  .1446    .05   .085   .076      0   .026      0
C2        0 .1215      0   .075   .077   .069      0   .022      0
C3    .1703 .0954  .8228   .060   .062   .050  -.017   .009   .001
C4    .3680     0  .8968   .072   .069   .051      0   .004      0
C5    .2584 .0974  .0517   .079   .063   .049  -.014   .013   .009
O1    .0904     0  .2393   .089   .179   .052      0   .003      0
O2        0 .2003      0   .157   .081   .120      0   .041      0
O3    .1417 .1506  .7573   .099   .098   .074   .006   .001   .030
O4    .4593     0  .8709   .059   .155   .081      0   .018      0
O5    .2815 .1567  .1141   .134   .084   .069  -.024  -.008  -.024
Fe2       0    .5     .5   .037   .030   .032      0   .005      0
Re2       0 .3058     .5  .0518  .0329  .0449      0  .0029      0
C6    .1216    .5  .4358   .064   .054   .057      0  -.009      0
C7    .0817    .5  .6353   .051   .062   .047      0   .015      0
C8        0 .1742     .5   .124   .059   .064      0  -.038      0
C9    .1590 .3158  .5674   .068   .054   .063   .014   .015   .011
C10   .0460 .3080  .3440   .055   .043   .066   .007   .005  -.002
O6    .2075    .5  .3915   .062   .119   .075      0   .031      0
O7    .1392    .5  .7229   .065   .102   .042      0  -.005      0
O8        0 .0969     .5   .184   .028   .151      0   .011      0
O9    .2491 .3227  .6092   .059   .102   .100   .024  -.011  -.024
O10   .0719 .3100  .2529   .106   .114   .043   .006   .025  -.005
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F2 Xe
 
Levy H, Agron P
 
Journal of the American Chemical Society 85 (1963) 241-242
The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction
_cod_database_code 1008156
_database_code_amcsd 0016096
4.315 4.315 6.99 90 90 90 I4/mmm
atom x y     z
Xe1  0 0     0
F1   0 0 .2837
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Total number of retrieved datasets: 6
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