Thadeuite
Isaacs A M, Peacor D R
American Mineralogist 67 (1982) 120-125
The crystal structure of thadeuite, Mg(Ca,Mn)(Mg,Fe,Mn)2(PO4)2(OH,F)2
_database_code_amcsd 0000859
6.412 13.563 8.545 90 90 90 C222_1
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
P    .1618 .3382 .0459     0.0025 0.0011 0.0024 0.0000 0.0003 0.0001
Mg1      0 .1460   .25     0.0011 0.0011 0.0016      0 0.0002      0
Mg2  .3541 .3840 .4043 .59 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004
Fe2  .3541 .3840 .4043 .29 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004
Mn2  .3541 .3840 .4043 .12 0.0028 0.0016 0.0028 0.0002 0.0001 0.0004
Mn3     .5 .0361   .25 .05 0.0040 0.0012 0.0040      0 0.0001      0
Ca3     .5 .0361   .25 .95 0.0040 0.0012 0.0040      0 0.0001      0
O1   .1199 .2281 .0687     0.0074 0.0013 0.0043 0.0002 0.0004 0.0001
O2   .3328 .3735 .1585     0.0034 0.0026 0.0041 -.0004 -.0008 -.0006
O3   .2733 .1431 .3764     0.0056 0.0022 0.0028 0.0000 -.0018 -.0008
O4   .0347 .3996 .4224     0.0050 0.0016 0.0038 -.0003 0.0002 0.0004
OH   .1489 .0385 .1322     0.0063 0.0015 0.0031 0.0005 0.0003 0.0005