Whitlockite
Kostiner E, Rea J R
Acta Crystallographica B32 (1976) 250-253
The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14
Locality: synthetic
_database_code_amcsd 0009550
10.438 10.438 37.150 90 90 120 R3c
atom      x     y      z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Mn        0     0      0 .00208 .00208 .00013 .00104       0       0
Ca1   .2954 .1585 .67216 .00871 .00455 .00025 .00504 -.00072 -.00050
Ca2   .2813 .1464 .56572 .00229 .00232 .00014 .00122 -.00002 -.00004
Ca3   .3874 .1798 .76784 .00278 .00211 .00014 .00128 -.00013 -.00005
P1        0     0 .75426 .00263 .00263 .00038 .00131       0       0
P2    .3166 .1431 .86498 .00208 .00186 .00014 .00116  .00001  .00002
P3    .3524 .1590 .96737 .00180 .00208 .00012 .00082  .00002  .00004
O1    .2798 .0955  .8259 .00495 .00443 .00016 .00278  .00009  .00010
O2    .2449 .2318  .8783 .00428 .00413 .00024 .00315  .00014  .00003
O3    .2708 .0006  .8868 .00287 .00208 .00014 .00110  .00014  .00020
O4    .4868 .2415  .8711 .00223 .00174 .00027 .00079  .00016  .00002
O5    .4017 .1953  .0075 .00492 .00321 .00014 .00211 -.00032 -.00008
O6    .4020 .0512  .9542 .00348 .00394 .00018 .00257 -.00005 -.00002
O7    .4174 .3063  .9473 .00403 .00272 .00015 .00085  .00017  .00020
O8    .1817 .0802  .9629 .00195 .00253 .00021 .00091 -.00003 -.00011
OH9       0     0  .7972 .00862 .00862 .00033 .00431       0       0
O10  -.0182 .1303  .7425 .00410 .00247 .00040 .00226  .00046  .00029