Reinhardbraunsite
Kirfel A, Hamm H M, Will G
Tschermaks Mineralogische und Petrographische Mitteilungen 31 (1983) 137-150
The crystal structure of reinhardbraunsite, Ca5(SiO4)2(OH,F)2, a new mineral
of the calcio-chondrodite type
Locality: synthetic
_database_code_amcsd 0015696
11.458 5.052 8.840 90 108.91 90 P2_1/a
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Cal      .5      0     .5       .59 .00131 .00515 .00190       0 .00014       0
Ca2  .16945 .00424 .30907       .53 .00108 .00569 .00194  .00040 .00055  .00026
Ca3  .38147 .00820 .07791       .57 .00138 .00595 .00165 -.00007 .00052  .00023
Si   .35374 .57477 .29738  .98  .42 .00102 .00350 .00147 -.00008 .00036 -.00015
P    .35374 .57477 .29738  .02  .42 .00102 .00350 .00147 -.00008 .00036 -.00015
O1   .48484 .70353 .29287       .41 .00114 .00712 .00276 -.00031 .00075 -.00046
O2   .24725 .70627 .14380       .43 .00135 .00734 .00209  .00040 .00031  .00073
O3   .33012 .70479 .45571       .64 .00164 .00596 .00217  .00004 .00077  .00024
O4   .35234 .25310 .29631       .44 .00166 .00552 .00286  .00092 .00074  .00048
F    .05421 .25319 .09575 .485  .35 .00263 .01811 .00548  .00238 .00149  .00591
O5   .05421 .25319 .09575  .63  .43 .00171 .01503 .00490  .00142 .00151  .00532
H      .021   .169   .042  .63  .43 .00171 .01503 .00490  .00142 .00151  .00532