Hannayite
Catti M, Franchini-Angela M
Acta Crystallographica B32 (1976) 2842-2848
Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O
(hannayite), and crystal-chemical relationships with schertelite and struvite
Locality: synthetic
_database_code_amcsd 0009576
10.728 7.670 6.702 97.87 96.97 104.74 P-1
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)  B(2,3)
N     .2094  .5266  .3144      .004032 .011108 .009323  .002675  .002088 .002770
H11    .147   .569   .340  1.4
H12    .226   .462   .417   .8
H13    .182   .447   .194   .6
H14    .278   .620   .313  2.4
Mg1       0      0      0      .002028 .005390 .005128  .000401  .000671 .002038
Mg2  .40280  .2405  .6622      .002052 .004078 .004429  .000602  .000783 .000941
P1   .12828 .33408 .75136      .001455 .004125 .004312  .000669  .000559 .001463
P2   .52884 .69239 .79383      .001575 .003093 .003263  .000401  .000634 .000888
O1   -.0067  .2961  .6275      .002362 .009374 .007459  .001505  .001715 .002613
O2    .1272  .2282  .9299      .002434 .007499 .007400  .000568  .000559 .003345
O3    .2292  .3025  .6206      .002935 .008296 .006643  .002006  .001715 .002456
Oh4   .1723  .5455  .8522      .003197 .005343 .012353  .000669  .001976 .000627
Oh5   .6233  .7702  .0107      .002314 .008624 .004778  .000936  .000932 .001202
O6    .5928  .8057  .6441      .003388 .005015 .005652  .000468  .001790 .001829
O7    .5184  .4926  .7377      .003436 .004781 .009149  .000769  .001268 .001568
O8    .4021  .7363  .8348      .002338 .006984 .008333  .001271  .001454 .001934
Ow1   .0550 -.1770  .7761      .005201 .008812 .007692  .002976  .001454 .000732
Ow2   .1476 -.0290  .2031      .003030 .010639 .010139 -.000033 -.000969 .005435
Ow3   .2991 -.0389  .6255      .003102 .006140 .009032  .000736  .001081 .002613
Ow4   .5737  .1605  .7495      .003579 .005531 .006993  .001705  .000858 .000784
H1     .248   .587   .840  1.0
H2     .705   .779   .005   .9
H3     .027  -.228   .644   .7
H4     .091  -.258   .816  2.2
H5     .225   .053   .267   .9
H6     .119  -.104   .286   .2
H7     .231  -.049   .676   .7
H8     .339  -.107   .686   .6
H9     .589   .182   .876   .4
H10    .579   .057   .710   .2