Mascagnite
Schlemper E O, Hamilton W C
Journal of Chemical Physics 44 (1966) 4498-4509
Neutron-diffraction study of the structures of ferroelectric and paraelectric
ammonium sulfate
Note: paraelectric, T = 298 K
Locality: synthetic
_database_code_amcsd 0012986
7.782 10.636 5.993 90 90 90 Pnam
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N1   .6895 .4025   .25  .0261  .0309  .0284  .0025      0      0
N2   .9677 .7050   .25  .0322  .0287  .0335 -.0013      0      0
H1    .810  .372   .25  .0663  .1129  .1043  .0486      0      0
H2    .600  .343   .25  .0985  .0945  .0950 -.0453      0      0
H3    .676  .457  .122  .0758  .1559  .1096 -.0050 -.0111  .0824
H4    .069  .649   .25  .0556  .0865  .0905  .0193      0      0
H5    .991  .792   .25  .1458  .0470  .1421 -.0281      0      0
H6    .893  .682  .124  .1108  .0785  .1065 -.0059 -.0526  .0039
S    .2440 .4192   .25  .0243  .0292  .0231  .0025      0      0
O1   .0612 .3887   .25  .0221  .0802  .0632 -.0130      0      0
O2   .2701 .5559   .25  .0519  .0229  .0519  .0008      0      0
O3   .3239 .3665 .0488  .0522  .0476  .0306  .0092  .0090 -.0129