Vivianite
Bartl H
Zeitschrift fur Analytische Chemie 333 (1989) 401-403
Water of crystallization and its hydrogen-bonded crosslinking in vivianite
Fe3(PO4)2*8H2O; a neutron diffraction investigation
_database_code_amcsd 0015722
10.021 13.441 4.721 90 102.84 90 I2/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      0     0     0  .0132  .0262  .0366      0  .0009      0
Fe2     .5 .1102    .5  .0166  .0237  .0327      0 -.0035      0
P    .3143     0 .9402  .0112  .0257  .0284      0 -.0082      0
O1   .1578     0 .7947  .0106  .0318  .0359      0 -.0075      0
O2   .3910     0 .6927  .0190  .0266  .0321      0 -.0005      0
O3   .3449 .0955 .1216  .0175  .0256  .0335 -.0006 -.0056 -.0022
Ow4  .1014 .8830 .3021  .0204  .0308  .0366  .0005 -.0026 -.0022
Ow5  .3952 .7755 .6829  .0286  .0296  .0430 -.0026 -.0010  .0038
H41  .3107 .3713 .2503  .0294  .0528  .0656 -.0085  .0082 -.0050
H42  .3728 .4158 .0075  .0347  .0558  .0338 -.0043 -.0094  .0035
H51  .8691 .3012 .3503  .0473  .0663  .0451 -.0006  .0106 -.0022
H52  .9518 .2182 .2425  .0617  .0362  .0636  .0184  .0011  .0068