Fluorapophyllite-(K)
Prince E
American Mineralogist 56 (1971) 1243-1251
Refinement of the crystal structure of apophyllite III. Determination of the
hydrogen positions by neutron diffraction
Locality: Centerville, Virginia, USA
_database_code_amcsd 0000257
8.96 8.96 15.80 90 90 90 P4/mnc
atom     x     y     z  occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5      .004360 .004360 .003805        0        0        0
Ca   .1110 .2473     0      .002585 .002460 .000791 -.000249        0        0
Si   .2267 .0866 .1896      .001308 .001775 .000661 -.000062 -.000035  .000106
O1   .3636 .1364   .25      .001993 .001993 .000851 -.000062 -.000353 -.000353
O2   .0846 .1897 .2169      .001837 .003332 .001382  .001059 -.000194 -.000459
O3   .2657 .1018 .0924      .003394 .003270 .000431 -.000031 -.000053 -.000035
F        0     0     0      .001744 .001744 .001612        0        0        0
O4   .2154 .4500 .0893      .007629 .003519 .001472 -.000187  .000194 -.000512
H1   .4490 .1730 .0889      .006228 .008097 .002604 -.000311  .000636 -.000106
H2   .2244 .4255 .1481 .875 .015570 .008097 .001302  .000000 -.000883  .000177
H3       0     0 .0651 .500 .022110 .022110 .002804        0        0        0