Kryzhanovskite
Moore P B, Araki T
Inorganic Chemistry 15 (1976) 316-321
A mixed-valence solid-solution series: Crystal structures of phosphoferrite,
Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2
Note: this sample was synthesized by heating phosphoferrite in air
Locality: synthetic
_database_code_amcsd 0012681
9.518 9.749 8.031 90 90 90 Pbna
atom       x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1        0      0      0  .71 .00059 .00247 .00378 -.00013 -.00048  .00035
Fe2   .04838 .11378 .63693  .69 .00078 .00212 .00376  .00035  .00021  .00025
P     .20925 .10570 .28596  .52 .00036 .00179 .00335  .00003 -.00001  .00006
O1    .21008 .25961 .33188  .71 .00026 .00159 .00555  .00022 -.00001  .00049
O2    .11247 .02965 .41434  .69 .00070 .00213 .00389 -.00034 -.00054  .00010
O3    .35969 .04537 .29859  .76 .00043 .00266 .00428  .00037  .00004 -.00013
O4    .15816 .08792 .10917  .86 .00093 .00345 .00364 -.00032 -.00061 -.00025
Oh1  -.05246    .25     .5  .93 .00118 .00282 .00501       0       0 -.00056
Oh2  -.02974 .34471 .15037  .78 .00088 .00259 .00405 -.00035 -.00043  .00013
H1     -.163    .25     .5
H2a    -.131   .311   .158