data_global
_chemical_name_mineral 'Chabazite-K'
loop_
_publ_author_name
'Alberti A'
'Galli E'
'Vezzalini G'
'Passaglia E'
'Zanazzi P F'
_journal_name_full 'Zeolites'
_journal_volume 2 
_journal_year 1982
_journal_page_first 303
_journal_page_last 309
_publ_section_title
;
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: K-exchanged
;
_database_code_amcsd 0017688
_chemical_compound_source 'Keller, Nidda, Germany'
_chemical_formula_sum 'Na.44 K3.02 (Al3.6 Si8.4) O34.02 H20.04'
_cell_length_a 9.442
_cell_length_b 9.442
_cell_length_c 9.442
_cell_angle_alpha 94.29
_cell_angle_beta 94.29
_cell_angle_gamma 94.29
_cell_volume 834.317
_exptl_crystal_density_diffrn      2.042
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1   0.22490   0.22490   0.22490   0.12000   0.03040
K1   0.22490   0.22490   0.22490   0.84000   0.03040
Na2   0.38800   0.38800   0.38800   0.01000   0.10639
K2   0.38800   0.38800   0.38800   0.07000   0.10639
Na3   0.56100   0.56100   0.23900   0.01000   0.11905
K3   0.56100   0.56100   0.23900   0.10000   0.11905
Na4   0.52900   0.52900   0.10700   0.02000   0.07472
K4   0.52900   0.52900   0.10700   0.10000   0.07472
Al1   0.10400   0.33320   0.87550   0.30000   0.01064
Si1   0.10400   0.33320   0.87550   0.70000   0.01064
O1   0.26420  -0.26420   0.00000   1.00000   0.03280
O2   0.14940  -0.14940   0.50000   1.00000   0.02419
O3   0.24970   0.24970   0.89190   1.00000   0.02685
O4   0.02260   0.02260   0.32000   1.00000   0.02723
Wat1   0.50000   0.50000   0.00000   0.82000   0.16971
Wat2   0.26400   0.26400   0.52600   0.33000   0.05826
Wat3   0.19600   0.34100   0.51800   0.20000   0.07599
Wat4   0.35200  -0.37900   0.43200   0.19000   0.14058
Wat5   0.37000   0.37000   0.08600   0.15000   0.12159