(NH4)H8Fe3(PO4)6(H2O)6 Moore P B, Araki T American Mineralogist 64 (1979) 587-592 Crystal structure of synthetic (NH4)H8Fe3(PO4)6(H2O)6 _database_code_amcsd 0000736 9.151 9.151 16.862 90 90 120 P3c1 atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Fe1 0 0 0 0.00316 0.00316 0.00086 0.00158 0 0 Fe2 2/3 1/3 .1983 0.00327 0.00327 0.00031 0.00164 0 0 Fe3 2/3 1/3 -.0806 0.00322 0.00322 0.00060 0.00161 0 0 P1 .8885 .2730 .0603 0.00319 0.00408 0.00066 0.00175 0.00006 -.00003 P2 .5583 .5267 .3310 0.00630 0.00565 0.00120 0.00374 0.00011 -.00073 NH1 1/3 2/3 .1635 0.02103 0.02103 0.00409 0.01051 0 0 O1 .7912 .2459 -.0156 0.00468 0.00630 0.00126 0.00343 0.00142 0.00101 O2 .9598 .1535 .0652 0.00304 0.00929 0.00093 0.00257 0.00072 0.00182 OH3 .0433 .4595 .0598 0.01205 0.00883 0.00204 0.00844 0.00006 0.00016 O4 .7902 .2493 .1373 0.00299 0.00891 0.00119 0.00278 -.00023 -.00107 O5 .5296 .4040 .2650 0.00510 0.00624 0.00144 0.00188 0.00118 -.00011 OH6 .7122 .7053 .3107 0.00428 0.00538 0.00397 0.00046 0.00073 -.00209 O7 .3999 .5354 .3482 0.00538 0.00543 0.00177 0.00289 0.00099 -.00070 OH8 .6110 .4684 .4089 0.01880 0.01614 0.00153 0.01423 0.00026 0.00039 Wat1 .1644 .1878 -.0755 0.00641 0.00708 0.00181 0.00270 0.00200 -.00023 Wat2 .1845 .2786 .2050 0.02269 0.06049 0.00365 0.02982 -.00443 -.00974