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: ferroelectric, T = 180 K
Locality: synthetic
_database_code_amcsd 0012987
7.837 10.61 5.967 90 90 90 Pna2_1
atom     x     y    z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N1   .6808 .3958 .245  .0293  .0080  .0224 -.0046 -.0036  .0067
N2   .9796 .6999 .256  .0246  .0057  .0256  .0004 -.0088  .0048
H1    .771  .336 .202  .1030  .0365  .0732  .0375  .0479  .0045
H2    .564  .360 .206  .0429  .0462  .0586 -.0110 -.0073  .0071
H3    .691  .480 .157  .0498  .0154  .0310  .0093  .0190  .0298
H4    .682  .412 .408  .0342  .0536  .0483  .0042  .0102 -.0157
H5    .092  .658 .222  .0461  .0708  .0256  .0253  .0092  .0241
H6    .990  .793 .265  .0921  .0086  .0761  .0067 -.0301 -.0225
H7    .896  .670 .142  .0654  .0360  .0561 -.0139 -.0308  .0170
H8    .945  .672 .412  .0261  .0639  .0458 -.0046 -.0040  .0109
S     .243  .421  .25  .0221  .0091  .0307  .0004 -.0021 -.0019
O1    .061  .402 .212  .0165  .0280  .0265 -.0046 -.0054 -.0006
O2    .284  .557 .222  .0265  .0080  .0245 -.0059  .0033 -.0029
O3    .339  .346 .083  .0286  .0137  .0231  .0021  .0090  .0013
O4    .294  .382 .477  .0277  .0131  .0177  .0004 -.0021  .0019