American Mineralogist Crystal Structure Database

2 matching records for this search.

C2.8N.7H9Mg2.4Li.6Si4O10F2
 
Seidl W, Breu J
Download zk/vol220/ZK220_169.pdf
Zeitschrift fur Kristallographie 220 (2005) 169-176
Single crystal structure refinement of tetramethylammonium-hectorite
Locality: synthetic
Note: isostructural with hectorite
Note: anisoU's and H data from ICSD
_database_code_amcsd 0011128
5.2735 9.1165 13.561 90 97.69 90 C2/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Mg1      .5 .16656     .5 .789 .0089  .0072  .0083  .0110       0  .0006      0
Li1      .5 .16656     .5 .211 .0089  .0072  .0083  .0110       0  .0006      0
Mg2       0      0     .5 .804 .0093  .0077  .0087  .0114       0  .0016      0
Li2       0      0     .5 .196 .0093  .0077  .0087  .0114       0  .0016      0
Si   .09812 .16679 .29597      .0089  .0071  .0083  .0112 -.00020 .00121  .0000
O1    .1383 .16700 .41636      .0102  .0090  .0096  .0118   .0003  .0011  .0001
O2    .0785      0 .25121      .0105  .0098  .0089  .0126       0  .0004      0
O3   -.1645 .25233 .25088      .0106  .0081  .0110  .0126   .0019  .0010  .0004
N1     .390   .060  .0008 .094 .0338
C1     .473   .989   .910 .094 .0338
H1    .4362  .8855  .9115 .094  .051
H2    .6529  .0030  .9106 .189  .051
H3    .3811  .0317  .8516 .094  .051
C2     .445   .219      0 .094 .0338
H4    .6259  .2339  .0003 .094  .051
H5    .3914  .2646  .0572 .094  .051
H6    .3548  .2623  .9405 .094  .051
C3     .108   .035  .9997 .094 .0338
H7    .0737  .9320  .0004 .094  .051
H8    .0164  .0781  .9406 .094  .051
H9    .0529  .0804  .0573 .094  .051
C4     .532   .991   .093 .094 .0338
H10   .4949  .8882  .0932 .094  .051
H11   .4785  .0363  .1508 .094  .051
H12   .7124  .0055  .0936 .189  .051
N2     .474  -.080      0 .080 .0338
C5     .468  -.983   .911 .080 .0338
H13   .3369 -.9102  .9116 .080  .051
H14   .4329 -.0409  .8512 .080  .051
H15   .6309 -.9353  .9116 .080  .051
C6     .676  -.193   .999 .080 .0338
H16   .8393 -.1455  .0004 .080  .051
H17   .6415 -.2505  .9394 .080  .051
H18   .6786 -.2552  .0560 .080  .051
C7     .217  -.153   .998 .080 .0338
H19   .0876 -.0792  .9986 .080  .051
H20   .2186 -.2153  .0548 .080  .051
H21   .1816 -.2105  .9382 .080  .051
C8     .527  -.989   .093 .080 .0338
H22   .3951 -.9163  .0933 .080  .051
H23   .6896 -.9412  .0945 .080  .051
H24   .5295 -.0508  .1504 .080  .051
F    -.3570      0 .42578      .0113  .0099  .0101  .0139    .000  .0009   .000
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Hectorite-(Cs)
 
Breu J, Seidl W, Stoll A
 
Zeitschrift fur Anorganische und Allgemeine Chemie 629 (2003) 503-515
Fehlordnung bei smectiten in abhangigkeit vom zwischenschichtkation
Locality: synthetic
Note: isostructural with hectorite
_database_code_amcsd 0015819
5.2401 9.0942 10.7971 90 99.21 90 C2/m
atom      x      y       z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs        0      0       0 .6015 .0200  .0191  .0219  .0191      0  .0036      0
Mg1       0  .1665      .5  .805 .0096  .0070  .0094  .0126      0  .0022      0
Li1       0  .1665      .5  .195 .0096  .0070  .0094  .0126      0  .0022      0
Mg2      .5      0      .5  .788 .0083  .0052  .0090  .0112      0  .0025      0
Li2      .5      0      .5  .212 .0083  .0052  .0090  .0112      0  .0025      0
Si    .0811 .33318  .24443       .0084  .0065  .0085  .0104  .0003  .0019  .0004
O1    .1312  .3329  .39472       .0098  .0087  .0087  .0120 -.0004  .0020  .0001
O2   -.4413      0   .1887       .0137   .017   .012  .0118      0  .0020      0
O3    .1856  .2484 -.18845       .0140  .0132  .0172  .0114  .0001  .0016  .0026
F     .1373      0   .4064       .0126  .0105  .0138  .0138      0  .0026      0
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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Total number of retrieved datasets: 2
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