American Mineralogist Crystal Structure Database

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Oxammite
Download hom/oxammite.pdf
Taylor J C, Sabine T M
Acta Crystallographica B28 (1972) 3340-3351
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the
combined use of neutron and X-ray diffraction analyses
Locality: synthetic
Sample: DOX(N)
_database_code_amcsd 0009463
8.027 10.298 3.816 90 90 90 P2_12_12
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N    .3868  .2266 .4251  .0077  .0043  .0317 -.0009 -.0001 -.0006
H1   .4750  .2678 .2638  .0086  .0069  .0442 -.0018  .0041  .0003
H2   .4335  .1475 .5587  .0126  .0048  .0451  .0004 -.0021  .0030
H3   .2874  .1970 .2723  .0084  .0066  .0470 -.0022 -.0032 -.0008
H4   .3501  .2970 .6021  .0121  .0054  .0410  .0000  .0033 -.0035
C    .0922  .0237 .0703  .0043  .0031  .0261 -.0005 -.0011  .0011
O1   .2017 -.0586 .1410  .0048  .0044  .0600  .0003 -.0004  .0055
O2   .1176  .1406 .0022  .0063  .0033  .0568 -.0013 -.0044  .0040
Ow       0     .5 .1835  .0061  .0047  .0450 -.0005      0      0
Hw   .0957  .4811 .0382  .0065  .0057  .0523 -.0001  .0035 -.0005
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