American Mineralogist Crystal Structure Database

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Oxammite
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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: HOX(N)
_database_code_amcsd 0009461
8.035 10.309 3.795 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  .2265 .4245  .0070  .0038  .0284 -.0008  .0008 -.0005
H1   .4747  .2677 .2614  .0087  .0071  .0516 -.0012  .0032  .0004
H2   .4327  .1492 .5608  .0156  .0067  .0450  .0001 -.0013  .0028
H3   .2891  .1981 .2745  .0110  .0077  .0513 -.0017 -.0040 -.0001
H4   .3492  .2969 .6034  .0125  .0069  .0530 -.0002  .0043 -.0060
C    .0923  .0233 .0705  .0040  .0031  .0227 -.0003 -.0016  .0015
O1   .2017 -.0580 .1439  .0041  .0045  .0554  .0006 -.0005  .0050
O2   .1177  .1406 .0019  .0062  .0031  .0532 -.0010 -.0046  .0034
Ow       0     .5 .1879  .0045  .0049  .0387  .0004      0      0
Hw   .0968  .4821 .0375  .0083  .0080  .0612 -.0003  .0025 -.0037
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