Calcioferrite Lafuente B, Downs R T, Yang H and Jenkins R A Acta Crystallographica E70 (2014) 116-117 Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O Locality: Moculta quarry, Angaston, Australia _database_code_amcsd 0020012 10.1936 24.1959 6.3218 90 91.161 90 C2/c atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 0 .06262 .25 .970 .01378 .01771 .01033 .01325 0 -.00077 0 Sr1 0 .06262 .25 .030 .01378 .01771 .01033 .01325 0 -.00077 0 Ca2 0 .33191 .25 .01546 .01492 .01555 .01596 0 .00100 0 Mg 0 .47193 .25 .5 .01301 .01147 .00838 .01918 0 .00001 0 Fe1 .25 .25 0 .651 .00757 .00809 .00429 .01035 -.00082 .00064 -.00026 Al1 .25 .25 0 .349 .00757 .00809 .00429 .01035 -.00082 .00064 -.00026 Fe2 0 .16865 -.25 .814 .00762 .00876 .00546 .00867 0 .00106 0 Al2 0 .16865 -.25 .185 .00762 .00876 .00546 .00867 0 .00106 0 P1 .5 .30208 -.25 .01145 .01288 .01022 .01132 0 .00190 0 P2 .26354 .11351 .96145 .01383 .01602 .00925 .01639 .00181 .00494 .00281 O1 .61355 .26286 .70741 .01975 .02226 .01756 .01976 .00620 .00828 .00305 O2 .47000 .34019 .56247 .01642 .02197 .01472 .01265 .00195 .00223 .00008 O3 .31304 .17285 .00510 .01891 .02039 .01290 .02329 .00274 -.00308 -.00330 O4 .37823 .08573 .85462 .02014 .01962 .01523 .02581 .00556 .00685 .00190 O5 .14385 .11435 .80555 .01919 .01600 .01318 .02824 .00308 -.00339 -.00359 O6 .22342 .08585 .16495 .02842 .03240 .02732 .02607 .00482 .01376 .01184 Oh .36753 .27149 .23426 .01734 .01971 .01154 .02063 -.00401 -.00338 .00478 OW1 .15977 .32890 .52251 .03140 .02986 .04148 .02262 -.00337 -.00551 .00396 OW2 .11195 .02555 .57697 .02290 .02208 .01941 .02711 -.00273 -.00220 -.00482 Wat3A .11636 .46651 .60754 .5 .02808 .03967 .01842 .02587 .00872 -.00617 -.00463 Wat3B .11928 .47925 .53196 .5 .01990 .01844 .01498 .02595 .00500 -.00793 -.00001 H11 .17798 .34235 .62021 .03 H12 .21305 .31142 .48304 .03 H21 .12256 .05814 .67317 .03 H22 .19146 .01559 .55282 .03 H1 .37163 .24959 .30337 .03