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The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

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American Mineralogist Crystal Structure Database

1 matching records for this search.

C9H17O4P
  
Marsh R E
Acta Crystallographica A50 (1994) 450-455
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
_database_code_amcsd 0009333
12.385 6.590 13.394 90 98.00 90 P2_1/n
atom      x      y      z  Uiso
C1    .5698 -.2086  .3385 .0333
C2    .4472 -.1717  .3084 .0374
C3    .4285 -.0594  .2085 .0332
C4    .3125  .0081  .1707 .0446
C5    .3080  .1251  .0726 .0546
C6    .3867  .3049  .0821 .0550
C7    .5036  .2390  .1218 .0413
C8    .5055  .1271  .2206 .0291
C9    .6064 -.2216  .4500 .0541
HO2   .7387  .2218  .3418  .089
HO3   .6612 -.4152  .3101  .103
HO4   .5038  .3311  .3028  .098
H2a   .4207 -.0990  .3598  .047
H2b   .4082 -.2926  .3039  .061
H3    .4553 -.1474  .1612  .040
H4a   .2895  .0840  .2289  .044
H4b   .2665 -.1106  .1615  .054
H5a   .2331  .1759  .0506  .071
H5b   .3249  .0356  .0136  .066
H6a   .3644  .4021  .1384  .070
H6b   .3865  .3536  .0183  .065
H7a   .5574  .3513  .1364  .067
H7b   .5306  .1455  .0777  .043
H9a   .6897 -.2507  .4638  .076
H9b   .5943 -.0991  .4810  .084
H9c   .5689 -.3122  .4791  .081
O1    .7008 -.0619  .1970 .0377
O2    .6966  .1326  .3607 .0401
O3    .5930 -.3939  .2890 .0453
O4    .4693  .2506  .2970 .0376
P    .63259 .00341 .27519 .0285


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	Total number of retrieved datasets: 1

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