Curetonite
Cooper M A, Hawthorne F C
American Mineralogist 79 (1994) 545-549
The crystal structure of curetonite, a complex heteropolyhedral sheet mineral
Data has been corrected according to the ICSD
_database_code_amcsd 0001660
6.977 12.564 5.223 90 102.15 90 P2_1/n
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .31601 .30290 .45914      .0135  .0123  .0219 -.0017 -.0044  .0053
P     .3036  .1135 -.0694      .0093  .0073  .0087 -.0004  .0016 -.0008
Al1       0     .5      0 .66  .0211  .0078  .0081 -.0052  .0048 -.0016
Ti        0     .5      0 .34  .0211  .0078  .0081 -.0052  .0048 -.0016
Al2      .5     .5      0      .0092  .0094  .0100  .0012  .0023  .0016
O1    .2105  .2235 -.0701      .0161  .0109  .0167  .0021  .0056  .0007
O2    .4330  .0927  .2030      .0172  .0106  .0105  .0011 -.0010  .0012
O3   -.0584  .3858  .2290      .0105  .0113  .0121  .0005  .0044  .0007
O4    .2636  .4474  .0679      .0085  .0131  .0123  .0034  .0054  .0052
O5    .6445  .4724  .3497      .0132  .0155  .0099  .0059  .0023  .0037
F     .0521  .1306  .3945      .0130  .0113  .0176 -.0016  .0015  .0010