Vuagnatite
McNear E, Vincent M G, Parthe E
American Mineralogist 61 (1976) 831-838
The crystal structure of vuagnatite, CaAl(OH)SiO4
_database_code_amcsd 0000525
7.055 8.542 5.683 90 90 90 P2_12_12_1
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .3627 .6646 .0282        .0810   .051   .047  .0020  .0030  .0000
Al   .2610 .9951 .7429        .0760   .043   .024  -.003  -.004  .0070
Si   .6198 .8095 .5120        .0063   .048   .023  .0030  .0010  .0000
O1   .4293 .9287 .4909        .0760   .037   .047  .0090  -.008  -.003
O2   .7885 .9314 .5699        .0750   .088   .060  -.016  -.001  .0110
O3   .6468 .7106 .2677        .0890   .059   .030  .0110  -.005  -.004
O4   .6133 .6934 .7417        .1030   .061   .018  .0090  .0040  .0000
O5   .3955 .9356 .0043        .0660   .050   .041  -.010  -.006  .0080
H     .514  .984  .032  .034