data_global
_chemical_name_mineral 'Fluorapophyllite-(K)'
loop_
_publ_author_name
'Colville A A'
'Anderson C P'
'Black P M'
_journal_name_full 'American Mineralogist'
_journal_volume 56 
_journal_year 1971
_journal_page_first 1222
_journal_page_last 1233
_publ_section_title
;
 Refinement of the crystal structure of apophyllite I. X-ray diffraction and
 physical properties
;
_database_code_amcsd 0000255
_chemical_compound_source 'Phoenix mine, Keweenaw Peninsula, Michigan, USA'
_chemical_formula_sum '(K.84 Na.16) Ca4 Si8 O28 F H16'
_cell_length_a 8.963
_cell_length_b 8.963
_cell_length_c 15.804
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1269.620
_exptl_crystal_density_diffrn      2.366
_symmetry_space_group_name_H-M 'P 4/m n c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K   0.00000   0.00000   0.50000   0.84000
Na   0.00000   0.00000   0.50000   0.16000
Ca   0.11020   0.24600   0.00000   1.00000
Si   0.22580   0.08640   0.19000   1.00000
O1   0.36350   0.13650   0.25000   1.00000
O2   0.08430   0.18990   0.21770   1.00000
O3   0.26420   0.10200   0.09230   1.00000
F   0.00000   0.00000   0.00000   1.00000
Wat4   0.21280   0.44980   0.09000   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.02533 0.02533 0.06308 0.00000 0.00000 0.00000
Na 0.02533 0.02533 0.06308 0.00000 0.00000 0.00000
Ca 0.00735 0.00861 0.00760 0.00081 0.00000 0.00000
Si 0.00697 0.00697 0.01014 -0.00038 -0.00215 0.00000
O1 0.01013 0.01013 0.00760 -0.00127 -0.00291 -0.00291
O2 0.00861 0.01304 0.02255 0.00405 -0.00076 -0.00431
O3 0.01229 0.01267 0.01267 0.00127 -0.00291 -0.00139
F 0.00697 0.00697 0.03661 0.00000 0.00000 0.00000
Wat4 0.03344 0.01431 0.01899 -0.00165 -0.00076 -0.00507