Fluorapophyllite-(K)
Chao G Y
American Mineralogist 56 (1971) 1234-1242
The refinement of the crystal structure of apophyllite II. Determination of the
hydrogen positions by X-ray diffraction
Note: O1-B23 changed to match symmetry constraints
Locality: Mont. St. Hilaire, Quebec, Canada
_database_code_amcsd 0000256
8.965 8.965 15.767 90 90 90 P4/mnc
atom     x     y     z  Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5       .007615 .007615 .004376        0        0        0
Ca   .1094 .2466     0       .002773 .003202 .000976  .000045        0        0
Si   .2256 .0865 .1900       .002285 .002039 .000959  .000033 -.000059 -.000011
O1   .3631 .1369   .25       .003936 .003936 .001327 -.000631 -.000275 -.000275
O2   .0846 .1891 .2178       .003412 .004489 .001965  .001246 -.000653 -.000617
O3   .2636 .1026 .0923       .005001 .004314 .001135  .000055 -.000582 -.000307
F        0     0     0       .002674 .002674 .002580        0        0        0
O4   .2131 .4491 .0898       .008905 .004494 .001449  .000088 -.000202 -.000670
H1   .4515 .1770 .0775  3.49
H2   .2362 .4706 .1198 13.54