Calcioaravaipaite Kampf A R, Merlino S, Pasero M American Mineralogist 88 (2003) 430-435 Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]: The crystal structure of the triclinic MDO polytype _database_code_amcsd 0002987 7.722 7.516 12.206 98.86 96.91 90.00 C-1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pb1 .74457 .52709 .10749 .0202 .0207 .0218 .0185 .0001 .0041 .0027 Ca1 .3925 .6497 .6144 .0120 .0105 .0102 .0160 .0001 .0030 .0028 Ca2 .8932 .6576 .6137 .0118 .0115 .0082 .0155 -.0009 .0017 .0013 Al1 .2511 .5453 .1813 .0142 .013 .014 .018 -.0003 .003 .005 F1 .0673 .5655 .2648 .017 .013 .020 .020 -.004 .006 .004 F2 .8449 .8984 .2749 .021 .018 .028 .020 .003 .004 .005 F3 .1484 .6981 .0948 .030 .016 .015 .023 .000 .002 -.006 F4 .4319 .5265 .1002 .022 .030 .025 .035 .004 -.002 .013 F5 .6474 .8513 .0930 .027 .013 .009 .014 -.001 .002 -.001 F6 .3443 .7371 .2768 .019 .016 .010 .015 .002 .004 .000 F7 .1273 .6210 .4991 .012 .019 .022 .027 .007 .004 .013 F8 .6201 .6304 .5053 .014 .027 .015 .020 -.003 .004 .003 F9 .6854 .5714 .2905 .021 .028 .021 .029 -.008 -.004 -.002