Struvite
Whitaker A, Jeffery J W
Acta Crystallographica B26 (1970) 1429-1440
The crystal structure of struvite, MgNH4PO4*6H2O
Locality: synthetic
_database_code_amcsd 0020109
6.941 6.137 11.199 90 90 90 Pmn2_1
atom      x       y       z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg        0  .37648  .37185      .00850 .00939 .00301       0       0  .00011
P         0 -.00661 -.00052      .00788 .00749 .00243       0       0 -.00015
O1        0 -.02221  .86279      .01193 .01343 .00226       0       0 -.00028
O2        0  .76229  .05350      .01222 .00838 .00382       0       0 -.00022
O3   .18165  .11371  .04172      .00877 .01152 .00375 -.00243 -.00032 -.00216
OW1       0  .68219  .28610      .02966 .01125 .00374       0       0  .00335
OW2       0  .08012  .46451      .00877 .01819 .00950       0       0  .01499
OW3  .21797  .26377  .26205      .01237 .01851 .00358  .00553 -.00117 -.00260
OW4  .21055  .48534  .48494      .01272 .01183 .00681  .00074 -.00838 -.00512
NH4       0  .36849  .73063      .01440 .01068 .00371       0       0  .00638
HN1       0   .3034   .7507  4.0
HN2       0   .3034   .7507  4.0
HN3       0   .3034   .7507  4.0
HN4       0   .3034   .7507  4.0
H2        0   .7131   .2222  4.0
H3        0   .7814   .3150  4.0
H4    .0989   .0233   .4947  4.0
H5    .1883   .1874   .2059  4.0
H6    .2242   .8150   .7930  4.0
H7    .2348   .5868   .4994  4.0
H8    .1846   .5995   .0026  4.0