Fe5P4O20H10
Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K
Inorganic Chemistry 25 (1986) 2279-2280
Synthesis of open-framework transition-metal phosphates using organometallic
precursors in acidic media. Preparation and structural characterization of
Fe5P4O20H10 and NaFe3P3O12
Note: structure from ICSD, hureaulite structure
_database_code_amcsd 0012694
17.4920 9.038 9.349 90 96.23 90 C2/c
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      .5  .5984    .25       .0055  .0064  .0053      0  .0008      0
Fe2  .31640 .08846 .18716       .0053  .0074  .0079  .0003  .0010  .0004
Fe3  .32579 .47315 .12958       .0054  .0061  .0067  .0003  .0002 -.0010
P1    .4175  .3198  .4100       .0049  .0052  .0045  .0008 -.0005 -.0003
P2    .3392  .7582  .3688       .0042  .0059  .0054  .0001  .0005 -.0005
O1    .4248  .7633  .3380        .006   .011   .009   .001   .000   .001
O9    .2408  .5750 -.0322        .007   .010   .008   .002   .001  -.001
O2    .4224  .4321  .2897        .004   .009   .010   .001  -.001   .002
O3    .4898  .2157  .4199        .007   .013   .010   .008  -.002  -.005
O4    .4165  .3933  .5575        .007   .009   .008   .002  -.001  -.004
O5    .3458  .2244  .3689        .010   .010   .007  -.001   .000  -.002
O6    .3355  .7296  .5320        .007   .010   .006   .000   .002   .003
O7    .4201 -.0055  .1517        .010   .013   .018   .001   .005   .003
O8    .2974  .6319  .2809        .004   .007   .010  -.002   .000  -.001
O10   .2984  .9045  .3261        .010   .009   .006   .005   .001   .001
H1    .4608   .050   .136  5.5
H2    .4426  -.084   .226  6.9
H3     .234   .684   .004 16.7